2,2-difluoro-3-methylbicyclo[3.1.0]hexane;ethane

C9H16F2 — CID 144625006

IUPAC2,2-difluoro-3-methylbicyclo[3.1.0]hexane;ethane
SMILESCC.CC1CC2CC2C1(F)F
InChIInChI=1S/C7H10F2.C2H6/c1-4-2-5-3-6(5)7(4,8)9;1-2/h4-6H,2-3H2,1H3;1-2H3
InChIKeyRPMJIXXRSPXMSV-UHFFFAOYSA-N
MW162.22 g/mol
LogP3.32
Rot. Bonds

About 2,2-difluoro-3-methylbicyclo[3.1.0]hexane;ethane

2,2-difluoro-3-methylbicyclo[3.1.0]hexane;ethane (PubChem CID 144625006) has the molecular formula C9H16F2 and a molecular weight of 162.22 g/mol. Its IUPAC name is 2,2-difluoro-3-methylbicyclo[3.1.0]hexane;ethane.

Molecular Properties

Compound Name2,2-difluoro-3-methylbicyclo[3.1.0]hexane;ethane
PubChem CID144625006
Molecular FormulaC9H16F2
Molecular Weight162.22 g/mol
Exact Mass162.12
IUPAC Name2,2-difluoro-3-methylbicyclo[3.1.0]hexane;ethane
SMILESCC.CC1CC2CC2C1(F)F
InChIInChI=1S/C7H10F2.C2H6/c1-4-2-5-3-6(5)7(4,8)9;1-2/h4-6H,2-3H2,1H3;1-2H3
InChIKeyRPMJIXXRSPXMSV-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.22
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1-difluoro-2,4,6-trimethylcyclohexane
CID 161062505
(3aR,6aR)-4,4-difluoro-3-methyl-3a,4a,5,5a,6,6a-hexahydrocyclopropa[f][1,2]benzoxazole
CID 118070158
2,2-difluoro-3,4-dimethylbicyclo[3.1.0]hexane
CID 90058200
6-methyltricyclo[2.2.1.01,3]heptane
CID 123381875
(2R)-1-fluoro-1,2-dimethylcyclopropane
CID 147738297
(1R,3S,5R,7S)-2-methyltricyclo[5.1.0.03,5]octan-2-ol
CID 10011966
(2R)-6,6-difluoro-3-iodo-2-methylbicyclo[3.1.0]hexane
CID 129057810
(1S,2R,5R)-6,6-difluorobicyclo[3.1.0]hexane-2-carboxylic acid
CID 166000589
(2'R,5S,5'S)-2',5,5'-trimethylspiro[2,3,3a,4,5,6a-hexahydro-1H-pentalene-6,1'-cyclopentane]
CID 162269699
3-(2,2-difluoro-3-methylcyclopropyl)pyrrolidine
CID 126845218
(1S,2S)-tetracyclo[4.4.0.01,7.02,4]decane
CID 163768070
1,2,3,6-tetramethylbicyclo[2.2.0]hexane
CID 123570801

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-methylbicyclo[3.1.0]hexane;ethane?
The IUPAC name of 2,2-difluoro-3-methylbicyclo[3.1.0]hexane;ethane (CID 144625006) is 2,2-difluoro-3-methylbicyclo[3.1.0]hexane;ethane.
What is the SMILES notation for 2,2-difluoro-3-methylbicyclo[3.1.0]hexane;ethane?
The canonical SMILES for 2,2-difluoro-3-methylbicyclo[3.1.0]hexane;ethane is CC.CC1CC2CC2C1(F)F.
What is the InChIKey of 2,2-difluoro-3-methylbicyclo[3.1.0]hexane;ethane?
The InChIKey is RPMJIXXRSPXMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2.C2H6/c1-4-2-5-3-6(5)7(4,8)9;1-2/h4-6H,2-3H2,1H3;1-2H3.
What are the key properties of 2,2-difluoro-3-methylbicyclo[3.1.0]hexane;ethane?
2,2-difluoro-3-methylbicyclo[3.1.0]hexane;ethane has a molecular weight of 162.22 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-methylbicyclo[3.1.0]hexane;ethane is sourced from PubChem (CID 144625006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).