[3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]cyclohexane

C10H13F5 — CID 58999462

IUPAC[3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]cyclohexane
SMILESFC(F)=C(CC1CCCCC1)C(F)(F)F
InChIInChI=1S/C10H13F5/c11-9(12)8(10(13,14)15)6-7-4-2-1-3-5-7/h7H,1-6H2
InChIKeyLVJMFVOCZIRMJO-UHFFFAOYSA-N
MW228.20 g/mol
LogP4.67
Rot. Bonds2

About [3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]cyclohexane

[3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]cyclohexane (PubChem CID 58999462) has the molecular formula C10H13F5 and a molecular weight of 228.20 g/mol. Its IUPAC name is [3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]cyclohexane.

Molecular Properties

Compound Name[3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]cyclohexane
PubChem CID58999462
Molecular FormulaC10H13F5
Molecular Weight228.20 g/mol
Exact Mass228.09
IUPAC Name[3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]cyclohexane
SMILESFC(F)=C(CC1CCCCC1)C(F)(F)F
InChIInChI=1S/C10H13F5/c11-9(12)8(10(13,14)15)6-7-4-2-1-3-5-7/h7H,1-6H2
InChIKeyLVJMFVOCZIRMJO-UHFFFAOYSA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze [3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]cyclohexane 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-Methylidene-4-(trifluoromethyl)cyclohexane
CID 12937208
[(Z)-Pentafluoro-1-propenyl]cyclohexane
CID 10751111
(5,5-Difluoropenta-3,4-dien-1-yl)cyclohexane
CID 162623317
(1,1-Dibromo-3,3,3-trifluoroprop-1-en-2-yl)cyclohexane
CID 15396971
(Trifluorovinyl)cyclohexane
CID 2778011
1,1,2,3,3-Pentafluoroprop-2-enylcyclohexane
CID 10774972
1-(1,2,2-Trifluoroethenyl)-4-(trifluoromethyl)cyclohexane
CID 19961262
1-Fluoro-4-(1,2,2-trifluoroethenyl)cyclohexane
CID 19961274
1-(Difluoromethylidene)-4-methylcyclohexane
CID 20612495
1-Methylidene-2-(trifluoromethyl)cyclohexane
CID 23528901
3,3-Difluoroprop-2-enylcyclohexane
CID 57083721
4,4-Difluorobut-3-enylcyclohexane
CID 57092135

Frequently Asked Questions

What is the IUPAC name of [3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]cyclohexane?
The IUPAC name of [3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]cyclohexane (CID 58999462) is [3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]cyclohexane.
What is the SMILES notation for [3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]cyclohexane?
The canonical SMILES for [3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]cyclohexane is FC(F)=C(CC1CCCCC1)C(F)(F)F.
What is the InChIKey of [3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]cyclohexane?
The InChIKey is LVJMFVOCZIRMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F5/c11-9(12)8(10(13,14)15)6-7-4-2-1-3-5-7/h7H,1-6H2.
What are the key properties of [3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]cyclohexane?
[3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]cyclohexane has a molecular weight of 228.20 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]cyclohexane is sourced from PubChem (CID 58999462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).