1-(difluoromethoxy)-4,4-dimethylcyclohexene

C9H14F2O — CID 175958278

IUPAC1-(difluoromethoxy)-4,4-dimethylcyclohexene
SMILESCC1(C)CC=C(OC(F)F)CC1
InChIInChI=1S/C9H14F2O/c1-9(2)5-3-7(4-6-9)12-8(10)11/h3,8H,4-6H2,1-2H3
InChIKeyVPWIOCMXPYJVOC-UHFFFAOYSA-N
MW176.21 g/mol
LogP3.32
Rot. Bonds2

About 1-(difluoromethoxy)-4,4-dimethylcyclohexene

1-(difluoromethoxy)-4,4-dimethylcyclohexene (PubChem CID 175958278) has the molecular formula C9H14F2O and a molecular weight of 176.21 g/mol. Its IUPAC name is 1-(difluoromethoxy)-4,4-dimethylcyclohexene.

Molecular Properties

Compound Name1-(difluoromethoxy)-4,4-dimethylcyclohexene
PubChem CID175958278
Molecular FormulaC9H14F2O
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name1-(difluoromethoxy)-4,4-dimethylcyclohexene
SMILESCC1(C)CC=C(OC(F)F)CC1
InChIInChI=1S/C9H14F2O/c1-9(2)5-3-7(4-6-9)12-8(10)11/h3,8H,4-6H2,1-2H3
InChIKeyVPWIOCMXPYJVOC-UHFFFAOYSA-N
XLogP3.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(difluoromethoxy)-4,4-dimethylcyclohexene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(Fluoromethoxy)-4-methylcyclohexene
CID 21337853
1-Methoxy-4-(trifluoromethyl)cyclohexene
CID 60006520
3-Fluoro-1-methoxy-6-methylcyclohexene
CID 89143207
1-Hexoxy-6-(trifluoromethyl)cyclohexene
CID 123526153
(6R)-1,3,4,6-tetrafluoro-5-(methoxymethyl)-5-methylcyclohexene
CID 129157060
(4R)-1-(1,1-difluoroethoxy)-4-methylcyclohexene
CID 130216430
4,4-Dimethyl-1-(trifluoromethylsulfanyloxy)cyclohexene
CID 143071783
4,4-Diethyl-1-(trifluoromethylsulfanyloxy)cyclohexene
CID 143370127
4,4-Dimethyl-1-(trifluoromethoxysulfanyloxy)cyclohexene
CID 143370141
1-Tert-butyl-4-(trifluoromethoxy)cyclohexa-1,3-diene
CID 143994937
1-Methoxysulfanyloxy-4-(trifluoromethyl)cyclohexene
CID 144454810
4-Methyl-1-(trifluoromethoxy)cyclohexene
CID 149544809

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-4,4-dimethylcyclohexene?
The IUPAC name of 1-(difluoromethoxy)-4,4-dimethylcyclohexene (CID 175958278) is 1-(difluoromethoxy)-4,4-dimethylcyclohexene.
What is the SMILES notation for 1-(difluoromethoxy)-4,4-dimethylcyclohexene?
The canonical SMILES for 1-(difluoromethoxy)-4,4-dimethylcyclohexene is CC1(C)CC=C(OC(F)F)CC1.
What is the InChIKey of 1-(difluoromethoxy)-4,4-dimethylcyclohexene?
The InChIKey is VPWIOCMXPYJVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2O/c1-9(2)5-3-7(4-6-9)12-8(10)11/h3,8H,4-6H2,1-2H3.
What are the key properties of 1-(difluoromethoxy)-4,4-dimethylcyclohexene?
1-(difluoromethoxy)-4,4-dimethylcyclohexene has a molecular weight of 176.21 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-4,4-dimethylcyclohexene is sourced from PubChem (CID 175958278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).