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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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).