1,1-difluoro-3-methylcyclobutane;1,1-dimethylcyclopentane;1-(2,2-dimethylpropyl)-3-methylcyclobutane;methylcyclopentane;1-methyl-1-(2-methylpropyl)cyclopropane;1,1,2,2,3-pentamethylcyclopropane;1,1,3-trimethylcyclobutane

C51H100F2 — CID 160649836

IUPAC1,1-difluoro-3-methylcyclobutane;1,1-dimethylcyclopentane;1-(2,2-dimethylpropyl)-3-methylcyclobutane;methylcyclopentane;1-methyl-1-(2-methylpropyl)cyclopropane;1,1,2,2,3-pentamethylcyclopropane;1,1,3-trimethylcyclobutane
SMILESCC(C)CC1(C)CC1.CC1(C)CCCC1.CC1C(C)(C)C1(C)C.CC1CC(C)(C)C1.CC1CC(CC(C)(C)C)C1.CC1CC(F)(F)C1.CC1CCCC1
InChIInChI=1S/C10H20.2C8H16.2C7H14.C6H12.C5H8F2/c1-8-5-9(6-8)7-10(2,3)4;1-6-7(2,3)8(6,4)5;1-7(2)6-8(3)4-5-8;1-6-4-7(2,3)5-6;1-7(2)5-3-4-6-7;1-6-4-2-3-5-6;1-4-2-5(6,7)3-4/h8-9H,5-7H2,1-4H3;6H,1-5H3;7H,4-6H2,1-3H3;6H,4-5H2,1-3H3;3-6H2,1-2H3;6H,2-5H2,1H3;4H,2-3H2,1H3
InChIKeyRKGSQPFICHVHSH-UHFFFAOYSA-N
MW751.36 g/mol
LogP18.27
Rot. Bonds3

About 1,1-difluoro-3-methylcyclobutane;1,1-dimethylcyclopentane;1-(2,2-dimethylpropyl)-3-methylcyclobutane;methylcyclopentane;1-methyl-1-(2-methylpropyl)cyclopropane;1,1,2,2,3-pentamethylcyclopropane;1,1,3-trimethylcyclobutane

1,1-difluoro-3-methylcyclobutane;1,1-dimethylcyclopentane;1-(2,2-dimethylpropyl)-3-methylcyclobutane;methylcyclopentane;1-methyl-1-(2-methylpropyl)cyclopropane;1,1,2,2,3-pentamethylcyclopropane;1,1,3-trimethylcyclobutane (PubChem CID 160649836) has the molecular formula C51H100F2 and a molecular weight of 751.36 g/mol. Its IUPAC name is 1,1-difluoro-3-methylcyclobutane;1,1-dimethylcyclopentane;1-(2,2-dimethylpropyl)-3-methylcyclobutane;methylcyclopentane;1-methyl-1-(2-methylpropyl)cyclopropane;1,1,2,2,3-pentamethylcyclopropane;1,1,3-trimethylcyclobutane.

Molecular Properties

Compound Name1,1-difluoro-3-methylcyclobutane;1,1-dimethylcyclopentane;1-(2,2-dimethylpropyl)-3-methylcyclobutane;methylcyclopentane;1-methyl-1-(2-methylpropyl)cyclopropane;1,1,2,2,3-pentamethylcyclopropane;1,1,3-trimethylcyclobutane
PubChem CID160649836
Molecular FormulaC51H100F2
Molecular Weight751.36 g/mol
Exact Mass750.78
IUPAC Name1,1-difluoro-3-methylcyclobutane;1,1-dimethylcyclopentane;1-(2,2-dimethylpropyl)-3-methylcyclobutane;methylcyclopentane;1-methyl-1-(2-methylpropyl)cyclopropane;1,1,2,2,3-pentamethylcyclopropane;1,1,3-trimethylcyclobutane
SMILESCC(C)CC1(C)CC1.CC1(C)CCCC1.CC1C(C)(C)C1(C)C.CC1CC(C)(C)C1.CC1CC(CC(C)(C)C)C1.CC1CC(F)(F)C1.CC1CCCC1
InChIInChI=1S/C10H20.2C8H16.2C7H14.C6H12.C5H8F2/c1-8-5-9(6-8)7-10(2,3)4;1-6-7(2,3)8(6,4)5;1-7(2)6-8(3)4-5-8;1-6-4-7(2,3)5-6;1-7(2)5-3-4-6-7;1-6-4-2-3-5-6;1-4-2-5(6,7)3-4/h8-9H,5-7H2,1-4H3;6H,1-5H3;7H,4-6H2,1-3H3;6H,4-5H2,1-3H3;3-6H2,1-2H3;6H,2-5H2,1H3;4H,2-3H2,1H3
InChIKeyRKGSQPFICHVHSH-UHFFFAOYSA-N
XLogP18.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.36
LogP ≤ 518.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,1-difluoro-3-methylcyclobutane;1,1-dimethylcyclopentane;1-(2,2-dimethylpropyl)-3-methylcyclobutane;methylcyclopentane;1-methyl-1-(2-methylpropyl)cyclopropane;1,1,2,2,3-pentamethylcyclopropane;1,1,3-trimethylcyclobutane with MolForge

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Related Compounds

6-Tert-butyl-2,2-difluorospiro[3.3]heptane;1-tert-butyl-1-methylcyclobutane;2-tert-butylspiro[3.3]heptane;1-tert-butyl-1-(trifluoromethyl)cyclobutane;1-tert-butyl-1-(trifluoromethyl)cyclopropane;(1-cyclopropyl-2,2-dimethylpropyl)cyclopropane;3,3-dimethylbutan-2-ylcyclobutane;3,3-dimethylbutan-2-ylcyclopropane;2,2-dimethylpentan-3-ylcyclopropane;2,2-dimethylpropylcyclobutane;1-(2,2-dimethylpropyl)-1-methylcyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;ethane;2,3,3-trimethylbutan-2-ylcyclopropane
CID 157057601
2,8-dimethylnonan-4-ylcyclobutane;[(4S)-2,8-dimethylnonan-4-yl]cyclobutane;[(4R)-2,8-dimethylnonan-4-yl]cyclobutane;2,8-dimethylnonan-4-ylcyclopropane;[(4S)-2,8-dimethylnonan-4-yl]cyclopropane;[(4R)-2,8-dimethylnonan-4-yl]cyclopropane;2,8-dimethyl-4-(trifluoromethyl)nonane;(4R)-2,8-dimethyl-4-(trifluoromethyl)nonane;(4S)-2,8-dimethyl-4-(trifluoromethyl)nonane;2,4,4,8-tetramethylnonane;2,3,8-trimethylnonane;2,4,8-trimethylnonane;tris(2,5,8-trimethylnonane);(3R)-2,3,8-trimethylnonane;(3S)-2,3,8-trimethylnonane;(4R)-2,4,8-trimethylnonane;(4S)-2,4,8-trimethylnonane
CID 157384723
1,1-Difluoro-3-propan-2-ylcyclobutane;1-methyl-3-propan-2-ylbicyclo[1.1.1]pentane;1-methyl-1-propan-2-ylcyclobutane;1-propan-2-ylbicyclo[1.1.1]pentane;propan-2-ylcyclobutane;2-propan-2-ylspiro[2.2]pentane
CID 157394127
1,1-Difluoro-3-(2-methylpropyl)-3-propan-2-ylcyclobutane;2,5-dimethylhexan-3-ylcyclopropane;1-(2-methylpropyl)-1-propan-2-ylcyclobutane
CID 157405273
6-Tert-butyl-2,2-difluorospiro[3.3]heptane;1-tert-butyl-1-methylcyclobutane;2-tert-butylspiro[3.3]heptane;1-tert-butyl-1-(trifluoromethyl)cyclobutane;1-tert-butyl-1-(trifluoromethyl)cyclopropane;(1-cyclopropyl-2,2-dimethylpropyl)cyclopropane;3,3-dimethylbutan-2-ylcyclobutane;3,3-dimethylbutan-2-ylcyclopropane;2,2-dimethylpentan-3-ylcyclopropane;2,2-dimethylpropylcyclobutane;1-(2,2-dimethylpropyl)-1-methylcyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;methane;2,3,3-trimethylbutan-2-ylcyclopropane
CID 157546788
6-Tert-butyl-2,2-difluorospiro[3.3]heptane;1-tert-butyl-1-methylcyclobutane;2-tert-butylspiro[3.3]heptane;1-tert-butyl-1-(trifluoromethyl)cyclobutane;1-tert-butyl-1-(trifluoromethyl)cyclopropane;1-(2,2-dimethylpropyl)-1-methylcyclobutane;1-(2,2-dimethylpropyl)-1-methylcyclopropane;bis(1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane);ethane
CID 157728391
6-tert-butyl-2,2-difluorospiro[3.3]heptane;1-tert-butyl-1-methylcyclobutane;2-tert-butylspiro[3.3]heptane;1-tert-butyl-1-(trifluoromethyl)cyclobutane;1-tert-butyl-1-(trifluoromethyl)cyclopropane;(1-cyclopropyl-2,2-dimethylpropyl)cyclopropane;[(2R)-3,3-dimethylbutan-2-yl]cyclopropane;[(2S)-3,3-dimethylbutan-2-yl]cyclopropane;[(3R)-2,2-dimethylpentan-3-yl]cyclopropane;[(3S)-2,2-dimethylpentan-3-yl]cyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;2,3,3-trimethylbutan-2-ylcyclopropane
CID 158128780
1-Fluoro-1-methyl-2-propan-2-ylcyclobutane;propan-2-ylcyclobutane;propan-2-ylcyclopentane;1-propan-2-yl-1-(trifluoromethyl)cyclopropane
CID 158282383
Cyclopentane;cyclopropylcyclopropane;1,1-difluorocyclopentane;1,1-dimethylcyclohexane;methylcyclobutane;methylcyclopropane
CID 158620081
1-Cyclopropyl-1-methylcyclopropane;1,1-difluoro-3-methylcyclopentane;1,1-dimethylcyclobutane;1,1-dimethylcyclopropane;methylcyclopentane;1,1,4-trimethylcyclohexane
CID 158623769
2,6-dimethylheptane;2,5-dimethylhexane;2,5-dimethylhexan-3-ylcyclobutane;[(3S)-2,5-dimethylhexan-3-yl]cyclobutane;[(3R)-2,5-dimethylhexan-3-yl]cyclobutane;2,5-dimethylhexan-3-ylcyclopropane;[(3S)-2,5-dimethylhexan-3-yl]cyclopropane;[(3R)-2,5-dimethylhexan-3-yl]cyclopropane;2,5-dimethyl-3-(trifluoromethyl)hexane;(3S)-2,5-dimethyl-3-(trifluoromethyl)hexane;(3R)-2,5-dimethyl-3-(trifluoromethyl)hexane;2,4,4,6-tetramethylheptane;2,3,3,5-tetramethylhexane;2,3,6-trimethylheptane;tris(2,4,6-trimethylheptane);(3R)-2,3,6-trimethylheptane;(3S)-2,3,6-trimethylheptane;2,3,5-trimethylhexane;(3S)-2,3,5-trimethylhexane;(3R)-2,3,5-trimethylhexane
CID 158648994
2-Tert-butyl-1,1-difluorocyclobutane;3-tert-butyl-1,1-difluorocyclobutane;2-tert-butyl-1,1-difluorocyclopentane;3-tert-butyl-1,1-difluorocyclopentane;2-tert-butyl-1,1-difluorocyclopropane
CID 158670933

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-methylcyclobutane;1,1-dimethylcyclopentane;1-(2,2-dimethylpropyl)-3-methylcyclobutane;methylcyclopentane;1-methyl-1-(2-methylpropyl)cyclopropane;1,1,2,2,3-pentamethylcyclopropane;1,1,3-trimethylcyclobutane?
The IUPAC name of 1,1-difluoro-3-methylcyclobutane;1,1-dimethylcyclopentane;1-(2,2-dimethylpropyl)-3-methylcyclobutane;methylcyclopentane;1-methyl-1-(2-methylpropyl)cyclopropane;1,1,2,2,3-pentamethylcyclopropane;1,1,3-trimethylcyclobutane (CID 160649836) is 1,1-difluoro-3-methylcyclobutane;1,1-dimethylcyclopentane;1-(2,2-dimethylpropyl)-3-methylcyclobutane;methylcyclopentane;1-methyl-1-(2-methylpropyl)cyclopropane;1,1,2,2,3-pentamethylcyclopropane;1,1,3-trimethylcyclobutane.
What is the SMILES notation for 1,1-difluoro-3-methylcyclobutane;1,1-dimethylcyclopentane;1-(2,2-dimethylpropyl)-3-methylcyclobutane;methylcyclopentane;1-methyl-1-(2-methylpropyl)cyclopropane;1,1,2,2,3-pentamethylcyclopropane;1,1,3-trimethylcyclobutane?
The canonical SMILES for 1,1-difluoro-3-methylcyclobutane;1,1-dimethylcyclopentane;1-(2,2-dimethylpropyl)-3-methylcyclobutane;methylcyclopentane;1-methyl-1-(2-methylpropyl)cyclopropane;1,1,2,2,3-pentamethylcyclopropane;1,1,3-trimethylcyclobutane is CC(C)CC1(C)CC1.CC1(C)CCCC1.CC1C(C)(C)C1(C)C.CC1CC(C)(C)C1.CC1CC(CC(C)(C)C)C1.CC1CC(F)(F)C1.CC1CCCC1.
What is the InChIKey of 1,1-difluoro-3-methylcyclobutane;1,1-dimethylcyclopentane;1-(2,2-dimethylpropyl)-3-methylcyclobutane;methylcyclopentane;1-methyl-1-(2-methylpropyl)cyclopropane;1,1,2,2,3-pentamethylcyclopropane;1,1,3-trimethylcyclobutane?
The InChIKey is RKGSQPFICHVHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.2C8H16.2C7H14.C6H12.C5H8F2/c1-8-5-9(6-8)7-10(2,3)4;1-6-7(2,3)8(6,4)5;1-7(2)6-8(3)4-5-8;1-6-4-7(2,3)5-6;1-7(2)5-3-4-6-7;1-6-4-2-3-5-6;1-4-2-5(6,7)3-4/h8-9H,5-7H2,1-4H3;6H,1-5H3;7H,4-6H2,1-3H3;6H,4-5H2,1-3H3;3-6H2,1-2H3;6H,2-5H2,1H3;4H,2-3H2,1H3.
What are the key properties of 1,1-difluoro-3-methylcyclobutane;1,1-dimethylcyclopentane;1-(2,2-dimethylpropyl)-3-methylcyclobutane;methylcyclopentane;1-methyl-1-(2-methylpropyl)cyclopropane;1,1,2,2,3-pentamethylcyclopropane;1,1,3-trimethylcyclobutane?
1,1-difluoro-3-methylcyclobutane;1,1-dimethylcyclopentane;1-(2,2-dimethylpropyl)-3-methylcyclobutane;methylcyclopentane;1-methyl-1-(2-methylpropyl)cyclopropane;1,1,2,2,3-pentamethylcyclopropane;1,1,3-trimethylcyclobutane has a molecular weight of 751.36 g/mol, XLogP of 18.27, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-methylcyclobutane;1,1-dimethylcyclopentane;1-(2,2-dimethylpropyl)-3-methylcyclobutane;methylcyclopentane;1-methyl-1-(2-methylpropyl)cyclopropane;1,1,2,2,3-pentamethylcyclopropane;1,1,3-trimethylcyclobutane is sourced from PubChem (CID 160649836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).