difluoromethylcyclohexane

C7H12F2 — CID 11804807

IUPACdifluoromethylcyclohexane
SMILESFC(F)C1CCCCC1
InChIInChI=1S/C7H12F2/c8-7(9)6-4-2-1-3-5-6/h6-7H,1-5H2
InChIKeyJOCDQQMYNFSIRO-UHFFFAOYSA-N
MW134.17 g/mol
LogP2.83
Rot. Bonds1

About difluoromethylcyclohexane

difluoromethylcyclohexane (PubChem CID 11804807) has the molecular formula C7H12F2 and a molecular weight of 134.17 g/mol. Its IUPAC name is difluoromethylcyclohexane.

Molecular Properties

Compound Namedifluoromethylcyclohexane
PubChem CID11804807
Molecular FormulaC7H12F2
Molecular Weight134.17 g/mol
Exact Mass134.09
IUPAC Namedifluoromethylcyclohexane
SMILESFC(F)C1CCCCC1
InChIInChI=1S/C7H12F2/c8-7(9)6-4-2-1-3-5-6/h6-7H,1-5H2
InChIKeyJOCDQQMYNFSIRO-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.17
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

difluoromethylcyclopentadecane
CID 101486578
difluoromethylcyclohexane;propane
CID 144840509
[chloro(fluoro)methyl]cyclohexane
CID 134937924
difluoromethylcyclobutane;formic acid
CID 174816284
cyclohexane;dichloromethylcyclohexane
CID 118430501
di(cyclohexadecyl)methylcyclohexadecane
CID 175406938
1,2,2-tricyclohexylethylcyclohexane
CID 59850833
1-cyclohexyl-2,2-difluoroethanol;hydrochloride
CID 162337180
CID 174647360
CID 174647360
1-fluoropropylcyclohexane
CID 175482470
(2S)-2-cyclohexyl-2-fluoroacetonitrile
CID 11040792
(1-cyclohexyl-2-fluoroethyl)cyclohexane
CID 162165643

Frequently Asked Questions

What is the IUPAC name of difluoromethylcyclohexane?
The IUPAC name of difluoromethylcyclohexane (CID 11804807) is difluoromethylcyclohexane.
What is the SMILES notation for difluoromethylcyclohexane?
The canonical SMILES for difluoromethylcyclohexane is FC(F)C1CCCCC1.
What is the InChIKey of difluoromethylcyclohexane?
The InChIKey is JOCDQQMYNFSIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2/c8-7(9)6-4-2-1-3-5-6/h6-7H,1-5H2.
What are the key properties of difluoromethylcyclohexane?
difluoromethylcyclohexane has a molecular weight of 134.17 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethylcyclohexane is sourced from PubChem (CID 11804807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).