7,7-difluoro-1-methylbicyclo[4.1.0]heptane

C8H12F2 — CID 14493670

IUPAC7,7-difluoro-1-methylbicyclo[4.1.0]heptane
SMILESCC12CCCCC1C2(F)F
InChIInChI=1S/C8H12F2/c1-7-5-3-2-4-6(7)8(7,9)10/h6H,2-5H2,1H3
InChIKeyBMQSIYVXHMOPFB-UHFFFAOYSA-N
MW146.18 g/mol
LogP2.83
Rot. Bonds

About 7,7-difluoro-1-methylbicyclo[4.1.0]heptane

7,7-difluoro-1-methylbicyclo[4.1.0]heptane (PubChem CID 14493670) has the molecular formula C8H12F2 and a molecular weight of 146.18 g/mol. Its IUPAC name is 7,7-difluoro-1-methylbicyclo[4.1.0]heptane.

Molecular Properties

Compound Name7,7-difluoro-1-methylbicyclo[4.1.0]heptane
PubChem CID14493670
Molecular FormulaC8H12F2
Molecular Weight146.18 g/mol
Exact Mass146.09
IUPAC Name7,7-difluoro-1-methylbicyclo[4.1.0]heptane
SMILESCC12CCCCC1C2(F)F
InChIInChI=1S/C8H12F2/c1-7-5-3-2-4-6(7)8(7,9)10/h6H,2-5H2,1H3
InChIKeyBMQSIYVXHMOPFB-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.18
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1R,6R)-7,7-difluoro-1-methyl-3-azabicyclo[4.1.0]heptane;hydrochloride
CID 146082174
2-cyclohexyl-2-methylspiro[2.5]octane;ethane
CID 145105367
(7,7-difluoro-1-bicyclo[4.1.0]heptanyl)oxy-trimethylsilane
CID 53307531
cis-(1R,2R)-2-bromo-1-fluoro-1-methylcyclohexane
CID 14433718
1-fluoro-2-iodo-1-methylcyclohexane
CID 14950746
1,8,9-trimethylbicyclo[5.2.0]nonane-8,9-dicarboxylic acid
CID 134900745
7,8,8,9-tetramethyltricyclo[5.2.2.01,6]undecane
CID 175245499
7-chloro-1-methyl-7-phenylbicyclo[4.1.0]heptane
CID 73200035
1,1-difluoro-2-methylcyclohexane
CID 15044189
1-methoxy-7,7-dimethylbicyclo[4.1.0]heptane
CID 13468570
1-(1,2-dimethylcyclohexyl)cyclohexan-1-amine
CID 67782640
5,8,8,13,14,14-hexamethylbicyclo[11.1.0]tetradecan-5-amine
CID 146610943

Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-1-methylbicyclo[4.1.0]heptane?
The IUPAC name of 7,7-difluoro-1-methylbicyclo[4.1.0]heptane (CID 14493670) is 7,7-difluoro-1-methylbicyclo[4.1.0]heptane.
What is the SMILES notation for 7,7-difluoro-1-methylbicyclo[4.1.0]heptane?
The canonical SMILES for 7,7-difluoro-1-methylbicyclo[4.1.0]heptane is CC12CCCCC1C2(F)F.
What is the InChIKey of 7,7-difluoro-1-methylbicyclo[4.1.0]heptane?
The InChIKey is BMQSIYVXHMOPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2/c1-7-5-3-2-4-6(7)8(7,9)10/h6H,2-5H2,1H3.
What are the key properties of 7,7-difluoro-1-methylbicyclo[4.1.0]heptane?
7,7-difluoro-1-methylbicyclo[4.1.0]heptane has a molecular weight of 146.18 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-1-methylbicyclo[4.1.0]heptane is sourced from PubChem (CID 14493670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).