1,1-difluoro-2-(2-methylpropyl)cyclopropane;1-fluoro-1-(2-methylpropyl)cyclobutane;1-fluoro-1-(2-methylpropyl)cyclopropane;methane;3-(2-methylpropyl)cyclopentene;3-(2-methylpropyl)thietane

C43H90F4S — CID 159223013

IUPAC1,1-difluoro-2-(2-methylpropyl)cyclopropane;1-fluoro-1-(2-methylpropyl)cyclobutane;1-fluoro-1-(2-methylpropyl)cyclopropane;methane;3-(2-methylpropyl)cyclopentene;3-(2-methylpropyl)thietane
SMILESC.C.C.C.C.CC(C)CC1(F)CC1.CC(C)CC1(F)CCC1.CC(C)CC1C=CCC1.CC(C)CC1CC1(F)F.CC(C)CC1CSC1
InChIInChI=1S/C9H16.C8H15F.C7H12F2.C7H13F.C7H14S.5CH4/c1-8(2)7-9-5-3-4-6-9;1-7(2)6-8(9)4-3-5-8;1-5(2)3-6-4-7(6,8)9;1-6(2)5-7(8)3-4-7;1-6(2)3-7-4-8-5-7;;;;;/h3,5,8-9H,4,6-7H2,1-2H3;7H,3-6H2,1-2H3;5-6H,3-4H2,1-2H3;6H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3;5*1H4
InChIKeyKRXXNGMAWSPDBO-UHFFFAOYSA-N
MW715.25 g/mol
LogP16.72
Rot. Bonds10

About 1,1-difluoro-2-(2-methylpropyl)cyclopropane;1-fluoro-1-(2-methylpropyl)cyclobutane;1-fluoro-1-(2-methylpropyl)cyclopropane;methane;3-(2-methylpropyl)cyclopentene;3-(2-methylpropyl)thietane

1,1-difluoro-2-(2-methylpropyl)cyclopropane;1-fluoro-1-(2-methylpropyl)cyclobutane;1-fluoro-1-(2-methylpropyl)cyclopropane;methane;3-(2-methylpropyl)cyclopentene;3-(2-methylpropyl)thietane (PubChem CID 159223013) has the molecular formula C43H90F4S and a molecular weight of 715.25 g/mol. Its IUPAC name is 1,1-difluoro-2-(2-methylpropyl)cyclopropane;1-fluoro-1-(2-methylpropyl)cyclobutane;1-fluoro-1-(2-methylpropyl)cyclopropane;methane;3-(2-methylpropyl)cyclopentene;3-(2-methylpropyl)thietane.

Molecular Properties

Compound Name1,1-difluoro-2-(2-methylpropyl)cyclopropane;1-fluoro-1-(2-methylpropyl)cyclobutane;1-fluoro-1-(2-methylpropyl)cyclopropane;methane;3-(2-methylpropyl)cyclopentene;3-(2-methylpropyl)thietane
PubChem CID159223013
Molecular FormulaC43H90F4S
Molecular Weight715.25 g/mol
Exact Mass714.67
IUPAC Name1,1-difluoro-2-(2-methylpropyl)cyclopropane;1-fluoro-1-(2-methylpropyl)cyclobutane;1-fluoro-1-(2-methylpropyl)cyclopropane;methane;3-(2-methylpropyl)cyclopentene;3-(2-methylpropyl)thietane
SMILESC.C.C.C.C.CC(C)CC1(F)CC1.CC(C)CC1(F)CCC1.CC(C)CC1C=CCC1.CC(C)CC1CC1(F)F.CC(C)CC1CSC1
InChIInChI=1S/C9H16.C8H15F.C7H12F2.C7H13F.C7H14S.5CH4/c1-8(2)7-9-5-3-4-6-9;1-7(2)6-8(9)4-3-5-8;1-5(2)3-6-4-7(6,8)9;1-6(2)5-7(8)3-4-7;1-6(2)3-7-4-8-5-7;;;;;/h3,5,8-9H,4,6-7H2,1-2H3;7H,3-6H2,1-2H3;5-6H,3-4H2,1-2H3;6H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3;5*1H4
InChIKeyKRXXNGMAWSPDBO-UHFFFAOYSA-N
XLogP16.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.25
LogP ≤ 516.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1,1-difluoro-2-(2-methylpropyl)cyclopropane;1-fluoro-1-(2-methylpropyl)cyclobutane;1-fluoro-1-(2-methylpropyl)cyclopropane;methane;3-(2-methylpropyl)cyclopentene;3-(2-methylpropyl)thietane with MolForge

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Related Compounds

1,1-difluoro-5-methylhexane;(1,1-difluoro-2-methylpropyl)cyclobutane;1,1-difluoro-2-(2-methylpropyl)cyclopropane;1-fluoro-5-methylhexane;1-fluoro-1-(2-methylpropyl)cyclobutane;1-fluoro-1-(2-methylpropyl)cyclopropane;3-methylbutylcyclobutane;1-methyl-1-(2-methylpropyl)cyclopropane;3-(2-methylpropyl)cyclopentene;3-(2-methylpropyl)thietane
CID 158572180
cis-(1R,3S)-1-fluoro-3-methyl-1-(2-methylpropyl)cyclohexane
CID 121406278
3-(2-methylpropyl)cycloheptene
CID 54543527
(3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane
CID 121406277
ethane;(3R)-3-ethylcyclopentene
CID 145484001
1-(1,1-difluoroethyl)-1-(2-methylpropyl)cyclopropane;1,1-difluoro-4-(2-methylpropyl)cyclohexane;1,1-difluoro-2-(2-methylpropyl)cyclopropane;1-fluoro-1-methyl-3-(2-methylpropyl)cyclobutane;1-fluoro-1-methyl-3-(2-methylpropyl)cyclopentane
CID 158610289
trans-(2R,4S)-1,1-difluoro-2-methyl-4-(2-methylpropyl)cyclohexane
CID 121406270
(3S)-3-(2-methylpropyl)thiolane
CID 89392788
1,1,2,2-tetrafluoro-3-(2-methylpropyl)cyclobutane
CID 157031904
N-(2-cyclopent-2-en-1-ylethyl)-N'-(2-methylpropyl)ethane-1,2-diamine
CID 116674112
3-[(2S)-2,3-dimethylbutyl]cyclohexene
CID 163836569
methane;2-methylpropylcyclopentane
CID 161254337

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-(2-methylpropyl)cyclopropane;1-fluoro-1-(2-methylpropyl)cyclobutane;1-fluoro-1-(2-methylpropyl)cyclopropane;methane;3-(2-methylpropyl)cyclopentene;3-(2-methylpropyl)thietane?
The IUPAC name of 1,1-difluoro-2-(2-methylpropyl)cyclopropane;1-fluoro-1-(2-methylpropyl)cyclobutane;1-fluoro-1-(2-methylpropyl)cyclopropane;methane;3-(2-methylpropyl)cyclopentene;3-(2-methylpropyl)thietane (CID 159223013) is 1,1-difluoro-2-(2-methylpropyl)cyclopropane;1-fluoro-1-(2-methylpropyl)cyclobutane;1-fluoro-1-(2-methylpropyl)cyclopropane;methane;3-(2-methylpropyl)cyclopentene;3-(2-methylpropyl)thietane.
What is the SMILES notation for 1,1-difluoro-2-(2-methylpropyl)cyclopropane;1-fluoro-1-(2-methylpropyl)cyclobutane;1-fluoro-1-(2-methylpropyl)cyclopropane;methane;3-(2-methylpropyl)cyclopentene;3-(2-methylpropyl)thietane?
The canonical SMILES for 1,1-difluoro-2-(2-methylpropyl)cyclopropane;1-fluoro-1-(2-methylpropyl)cyclobutane;1-fluoro-1-(2-methylpropyl)cyclopropane;methane;3-(2-methylpropyl)cyclopentene;3-(2-methylpropyl)thietane is C.C.C.C.C.CC(C)CC1(F)CC1.CC(C)CC1(F)CCC1.CC(C)CC1C=CCC1.CC(C)CC1CC1(F)F.CC(C)CC1CSC1.
What is the InChIKey of 1,1-difluoro-2-(2-methylpropyl)cyclopropane;1-fluoro-1-(2-methylpropyl)cyclobutane;1-fluoro-1-(2-methylpropyl)cyclopropane;methane;3-(2-methylpropyl)cyclopentene;3-(2-methylpropyl)thietane?
The InChIKey is KRXXNGMAWSPDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16.C8H15F.C7H12F2.C7H13F.C7H14S.5CH4/c1-8(2)7-9-5-3-4-6-9;1-7(2)6-8(9)4-3-5-8;1-5(2)3-6-4-7(6,8)9;1-6(2)5-7(8)3-4-7;1-6(2)3-7-4-8-5-7;;;;;/h3,5,8-9H,4,6-7H2,1-2H3;7H,3-6H2,1-2H3;5-6H,3-4H2,1-2H3;6H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3;5*1H4.
What are the key properties of 1,1-difluoro-2-(2-methylpropyl)cyclopropane;1-fluoro-1-(2-methylpropyl)cyclobutane;1-fluoro-1-(2-methylpropyl)cyclopropane;methane;3-(2-methylpropyl)cyclopentene;3-(2-methylpropyl)thietane?
1,1-difluoro-2-(2-methylpropyl)cyclopropane;1-fluoro-1-(2-methylpropyl)cyclobutane;1-fluoro-1-(2-methylpropyl)cyclopropane;methane;3-(2-methylpropyl)cyclopentene;3-(2-methylpropyl)thietane has a molecular weight of 715.25 g/mol, XLogP of 16.72, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-(2-methylpropyl)cyclopropane;1-fluoro-1-(2-methylpropyl)cyclobutane;1-fluoro-1-(2-methylpropyl)cyclopropane;methane;3-(2-methylpropyl)cyclopentene;3-(2-methylpropyl)thietane is sourced from PubChem (CID 159223013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).