1,1-difluoro-4-propan-2-ylcyclohexane;2,3-dimethylbutane;2,3-dimethylpentane;1-methoxy-2-methylpropane;5-methylhexanoic acid;4-methylpentanoic acid;1-methyl-3-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;propan-2-ylcyclobutane;1,1,1-trifluoro-4-methylpentane;2,2,3-trimethylbutane

C80H165F5O5 — CID 162259879

IUPAC1,1-difluoro-4-propan-2-ylcyclohexane;2,3-dimethylbutane;2,3-dimethylpentane;1-methoxy-2-methylpropane;5-methylhexanoic acid;4-methylpentanoic acid;1-methyl-3-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;propan-2-ylcyclobutane;1,1,1-trifluoro-4-methylpentane;2,2,3-trimethylbutane
SMILESCC(C)C(C)(C)C.CC(C)C(C)C.CC(C)C1CCC(F)(F)CC1.CC(C)C1CCC1.CC(C)CCC(=O)O.CC(C)CCC(F)(F)F.CC(C)CCCC(=O)O.CC1CCC(C(C)C)CC1.CC1CCCC(C(C)C)C1.CCC(C)C(C)C.COCC(C)C
InChIInChI=1S/2C10H20.C9H16F2.C7H14O2.C7H14.2C7H16.C6H11F3.C6H12O2.C6H14.C5H12O/c1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-3-5-9(10,11)6-4-8;1-6(2)4-3-5-7(8)9;1-6(2)7-4-3-5-7;1-6(2)7(3,4)5;1-5-7(4)6(2)3;1-5(2)3-4-6(7,8)9;1-5(2)3-4-6(7)8;1-5(2)6(3)4;1-5(2)4-6-3/h2*8-10H,4-7H2,1-3H3;7-8H,3-6H2,1-2H3;6H,3-5H2,1-2H3,(H,8,9);6-7H,3-5H2,1-2H3;6H,1-5H3;6-7H,5H2,1-4H3;5H,3-4H2,1-2H3;5H,3-4H2,1-2H3,(H,7,8);5-6H,1-4H3;5H,4H2,1-3H3
InChIKeyZZCDBPPWVPJOAJ-UHFFFAOYSA-N
MW1302.18 g/mol
LogP28.20
Rot. Bonds18

About 1,1-difluoro-4-propan-2-ylcyclohexane;2,3-dimethylbutane;2,3-dimethylpentane;1-methoxy-2-methylpropane;5-methylhexanoic acid;4-methylpentanoic acid;1-methyl-3-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;propan-2-ylcyclobutane;1,1,1-trifluoro-4-methylpentane;2,2,3-trimethylbutane

1,1-difluoro-4-propan-2-ylcyclohexane;2,3-dimethylbutane;2,3-dimethylpentane;1-methoxy-2-methylpropane;5-methylhexanoic acid;4-methylpentanoic acid;1-methyl-3-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;propan-2-ylcyclobutane;1,1,1-trifluoro-4-methylpentane;2,2,3-trimethylbutane (PubChem CID 162259879) has the molecular formula C80H165F5O5 and a molecular weight of 1302.18 g/mol. Its IUPAC name is 1,1-difluoro-4-propan-2-ylcyclohexane;2,3-dimethylbutane;2,3-dimethylpentane;1-methoxy-2-methylpropane;5-methylhexanoic acid;4-methylpentanoic acid;1-methyl-3-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;propan-2-ylcyclobutane;1,1,1-trifluoro-4-methylpentane;2,2,3-trimethylbutane.

Molecular Properties

Compound Name1,1-difluoro-4-propan-2-ylcyclohexane;2,3-dimethylbutane;2,3-dimethylpentane;1-methoxy-2-methylpropane;5-methylhexanoic acid;4-methylpentanoic acid;1-methyl-3-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;propan-2-ylcyclobutane;1,1,1-trifluoro-4-methylpentane;2,2,3-trimethylbutane
PubChem CID162259879
Molecular FormulaC80H165F5O5
Molecular Weight1302.18 g/mol
Exact Mass1301.26
IUPAC Name1,1-difluoro-4-propan-2-ylcyclohexane;2,3-dimethylbutane;2,3-dimethylpentane;1-methoxy-2-methylpropane;5-methylhexanoic acid;4-methylpentanoic acid;1-methyl-3-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;propan-2-ylcyclobutane;1,1,1-trifluoro-4-methylpentane;2,2,3-trimethylbutane
SMILESCC(C)C(C)(C)C.CC(C)C(C)C.CC(C)C1CCC(F)(F)CC1.CC(C)C1CCC1.CC(C)CCC(=O)O.CC(C)CCC(F)(F)F.CC(C)CCCC(=O)O.CC1CCC(C(C)C)CC1.CC1CCCC(C(C)C)C1.CCC(C)C(C)C.COCC(C)C
InChIInChI=1S/2C10H20.C9H16F2.C7H14O2.C7H14.2C7H16.C6H11F3.C6H12O2.C6H14.C5H12O/c1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-3-5-9(10,11)6-4-8;1-6(2)4-3-5-7(8)9;1-6(2)7-4-3-5-7;1-6(2)7(3,4)5;1-5-7(4)6(2)3;1-5(2)3-4-6(7,8)9;1-5(2)3-4-6(7)8;1-5(2)6(3)4;1-5(2)4-6-3/h2*8-10H,4-7H2,1-3H3;7-8H,3-6H2,1-2H3;6H,3-5H2,1-2H3,(H,8,9);6-7H,3-5H2,1-2H3;6H,1-5H3;6-7H,5H2,1-4H3;5H,3-4H2,1-2H3;5H,3-4H2,1-2H3,(H,7,8);5-6H,1-4H3;5H,4H2,1-3H3
InChIKeyZZCDBPPWVPJOAJ-UHFFFAOYSA-N
XLogP28.20
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001302.18
LogP ≤ 528.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1,1-difluoro-4-propan-2-ylcyclohexane;2,3-dimethylbutane;2,3-dimethylpentane;1-methoxy-2-methylpropane;5-methylhexanoic acid;4-methylpentanoic acid;1-methyl-3-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;propan-2-ylcyclobutane;1,1,1-trifluoro-4-methylpentane;2,2,3-trimethylbutane with MolForge

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Related Compounds

cumene;1,1-difluoro-4-propan-2-ylcyclohexane;2,3-dimethylbutane;2,3-dimethylpentane;methane;5-methylhexanoic acid;2-methyl-1-[(2-methylpropan-2-yl)oxy]propane;4-methylpentanoic acid;1-methyl-3-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;propan-2-ylcyclobutane;4-propan-2-yloxane;1,1,1-trifluoro-4-methylpentane;2,2,3-trimethylbutane
CID 158443199
(2R)-2-[1-(4,4-difluorocyclohexyl)-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6,6,6-trifluorohexanoic acid
CID 149378418
2,3-dimethylpentane;methane;2-methylpropylcyclobutane;2-methylpropylcyclopropane;propan-2-ylcyclohexane;2,2,3-trimethylbutane
CID 160935897
8,8,8-trifluoro-5-methyloctanoic acid
CID 87995359
(3R)-1-methyl-3-propan-2-ylcyclohexane
CID 154523132
2,5-dimethylhexane;bis(2,2-dimethylpentane);2,4-dimethylpentane;(3S)-2,3-dimethylpentane;heptane;methylcyclopentane;2-methylhexane;3-methylhexane;(3R)-3-methylhexane;2,2,3-trimethylbutane
CID 158558499
[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-methylcyclohexyl)methanol
CID 79125813
cis-(1S,4R)-1-methyl-4-propan-2-ylcycloheptane
CID 58254317
4-methyl-1-[(3R)-3-methylcyclohexyl]pentan-1-ol
CID 142020091
5-methyl-1-(3-methylcyclopentyl)hexan-1-ol
CID 83161755
1,1-difluoro-3-methylbutane;1,1-difluoro-6-methylheptan-4-one;3,3-difluoro-5-methylhexan-1-ol;1,1-difluoro-7-methyloctan-4-one;2,2-difluoro-4-methylpentane;2,2-difluoro-4-methylpentan-1-ol;1,1-difluoro-4-(2-methylpropyl)cyclohexane;2,3-dimethylpentane;1-fluoro-3-methylbutane;2-fluoro-4-methylpentan-1-ol;7-hydroxy-2-methyloctan-4-one;bis(1-methoxy-3-methylbutane);3-methylbutanamide;3-methylbutanoic acid;3-methylbutylcyclopropane;bis(2-methylhexane);5-methylhexan-3-ol;1-methyl-4-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)cyclohexane;(2R)-4-methylpentan-2-ol;(2S)-4-methylpentan-2-ol;4-methylpentan-2-ol;2-methylpropylbenzene;2-methylpropylcyclobutane;2-methylpropylcyclohexane;2-methylpropylcyclopropane;1,1,1-trifluoro-3-methylbutane;N,N,3-trimethylbutan-1-amine;2,2,4-trimethylpentane
CID 165030408
4-methoxy-1-(3-methylcyclohexyl)butan-1-ol
CID 62606188

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-4-propan-2-ylcyclohexane;2,3-dimethylbutane;2,3-dimethylpentane;1-methoxy-2-methylpropane;5-methylhexanoic acid;4-methylpentanoic acid;1-methyl-3-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;propan-2-ylcyclobutane;1,1,1-trifluoro-4-methylpentane;2,2,3-trimethylbutane?
The IUPAC name of 1,1-difluoro-4-propan-2-ylcyclohexane;2,3-dimethylbutane;2,3-dimethylpentane;1-methoxy-2-methylpropane;5-methylhexanoic acid;4-methylpentanoic acid;1-methyl-3-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;propan-2-ylcyclobutane;1,1,1-trifluoro-4-methylpentane;2,2,3-trimethylbutane (CID 162259879) is 1,1-difluoro-4-propan-2-ylcyclohexane;2,3-dimethylbutane;2,3-dimethylpentane;1-methoxy-2-methylpropane;5-methylhexanoic acid;4-methylpentanoic acid;1-methyl-3-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;propan-2-ylcyclobutane;1,1,1-trifluoro-4-methylpentane;2,2,3-trimethylbutane.
What is the SMILES notation for 1,1-difluoro-4-propan-2-ylcyclohexane;2,3-dimethylbutane;2,3-dimethylpentane;1-methoxy-2-methylpropane;5-methylhexanoic acid;4-methylpentanoic acid;1-methyl-3-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;propan-2-ylcyclobutane;1,1,1-trifluoro-4-methylpentane;2,2,3-trimethylbutane?
The canonical SMILES for 1,1-difluoro-4-propan-2-ylcyclohexane;2,3-dimethylbutane;2,3-dimethylpentane;1-methoxy-2-methylpropane;5-methylhexanoic acid;4-methylpentanoic acid;1-methyl-3-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;propan-2-ylcyclobutane;1,1,1-trifluoro-4-methylpentane;2,2,3-trimethylbutane is CC(C)C(C)(C)C.CC(C)C(C)C.CC(C)C1CCC(F)(F)CC1.CC(C)C1CCC1.CC(C)CCC(=O)O.CC(C)CCC(F)(F)F.CC(C)CCCC(=O)O.CC1CCC(C(C)C)CC1.CC1CCCC(C(C)C)C1.CCC(C)C(C)C.COCC(C)C.
What is the InChIKey of 1,1-difluoro-4-propan-2-ylcyclohexane;2,3-dimethylbutane;2,3-dimethylpentane;1-methoxy-2-methylpropane;5-methylhexanoic acid;4-methylpentanoic acid;1-methyl-3-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;propan-2-ylcyclobutane;1,1,1-trifluoro-4-methylpentane;2,2,3-trimethylbutane?
The InChIKey is ZZCDBPPWVPJOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H20.C9H16F2.C7H14O2.C7H14.2C7H16.C6H11F3.C6H12O2.C6H14.C5H12O/c1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-3-5-9(10,11)6-4-8;1-6(2)4-3-5-7(8)9;1-6(2)7-4-3-5-7;1-6(2)7(3,4)5;1-5-7(4)6(2)3;1-5(2)3-4-6(7,8)9;1-5(2)3-4-6(7)8;1-5(2)6(3)4;1-5(2)4-6-3/h2*8-10H,4-7H2,1-3H3;7-8H,3-6H2,1-2H3;6H,3-5H2,1-2H3,(H,8,9);6-7H,3-5H2,1-2H3;6H,1-5H3;6-7H,5H2,1-4H3;5H,3-4H2,1-2H3;5H,3-4H2,1-2H3,(H,7,8);5-6H,1-4H3;5H,4H2,1-3H3.
What are the key properties of 1,1-difluoro-4-propan-2-ylcyclohexane;2,3-dimethylbutane;2,3-dimethylpentane;1-methoxy-2-methylpropane;5-methylhexanoic acid;4-methylpentanoic acid;1-methyl-3-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;propan-2-ylcyclobutane;1,1,1-trifluoro-4-methylpentane;2,2,3-trimethylbutane?
1,1-difluoro-4-propan-2-ylcyclohexane;2,3-dimethylbutane;2,3-dimethylpentane;1-methoxy-2-methylpropane;5-methylhexanoic acid;4-methylpentanoic acid;1-methyl-3-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;propan-2-ylcyclobutane;1,1,1-trifluoro-4-methylpentane;2,2,3-trimethylbutane has a molecular weight of 1302.18 g/mol, XLogP of 28.20, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-4-propan-2-ylcyclohexane;2,3-dimethylbutane;2,3-dimethylpentane;1-methoxy-2-methylpropane;5-methylhexanoic acid;4-methylpentanoic acid;1-methyl-3-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;propan-2-ylcyclobutane;1,1,1-trifluoro-4-methylpentane;2,2,3-trimethylbutane is sourced from PubChem (CID 162259879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).