2-fluoro-4-methyl-1-(trifluoromethyl)cyclohexene

C8H10F4 — CID 146937347

IUPAC2-fluoro-4-methyl-1-(trifluoromethyl)cyclohexene
SMILESCC1CCC(C(F)(F)F)=C(F)C1
InChIInChI=1S/C8H10F4/c1-5-2-3-6(7(9)4-5)8(10,11)12/h5H,2-4H2,1H3
InChIKeyAGELWEGHQXNXBF-UHFFFAOYSA-N
MW182.16 g/mol
LogP3.59
Rot. Bonds

About 2-fluoro-4-methyl-1-(trifluoromethyl)cyclohexene

2-fluoro-4-methyl-1-(trifluoromethyl)cyclohexene (PubChem CID 146937347) has the molecular formula C8H10F4 and a molecular weight of 182.16 g/mol. Its IUPAC name is 2-fluoro-4-methyl-1-(trifluoromethyl)cyclohexene.

Molecular Properties

Compound Name2-fluoro-4-methyl-1-(trifluoromethyl)cyclohexene
PubChem CID146937347
Molecular FormulaC8H10F4
Molecular Weight182.16 g/mol
Exact Mass182.07
IUPAC Name2-fluoro-4-methyl-1-(trifluoromethyl)cyclohexene
SMILESCC1CCC(C(F)(F)F)=C(F)C1
InChIInChI=1S/C8H10F4/c1-5-2-3-6(7(9)4-5)8(10,11)12/h5H,2-4H2,1H3
InChIKeyAGELWEGHQXNXBF-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.16
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[(Z)-Pentafluoro-1-propenyl]cyclohexane
CID 10751111
2-Fluoro-1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene
CID 86582993
Decafluoro-alpha-methylstyrene
CID 129878302
cis-(1S,3R)-1,3-bis[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]cyclohexane
CID 10807360
1,3,3,4,4,5,5-Heptafluoro-2,6-bis(trifluoromethyl)cyclohexene
CID 11336861
[(E)-1,1,1,2-tetrafluorohept-2-en-3-yl]cyclohexane
CID 11747114
1-Cyclohexyl-2,3,3,3-tetrafluoro-1-propene
CID 15497043
6-(1,1,1,2,2,4,4,5,5,5-Decafluoropentan-3-ylidene)-1,1,2,2,3,3,4,5,5-nonafluoro-4-(fluoromethyl)cyclohexane
CID 17960238
1,2,3,4,5-Pentafluoro-6-propylcyclohexa-1,3-diene
CID 19818755
1-(Difluoromethylidene)-4-methylcyclohexane
CID 20612495
1,2,3,3,6,6-Hexafluoro-4,5-dimethylcyclohexene
CID 20802222
2-Fluoro-1,4-dimethylcyclohexene
CID 22942559

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-1-(trifluoromethyl)cyclohexene?
The IUPAC name of 2-fluoro-4-methyl-1-(trifluoromethyl)cyclohexene (CID 146937347) is 2-fluoro-4-methyl-1-(trifluoromethyl)cyclohexene.
What is the SMILES notation for 2-fluoro-4-methyl-1-(trifluoromethyl)cyclohexene?
The canonical SMILES for 2-fluoro-4-methyl-1-(trifluoromethyl)cyclohexene is CC1CCC(C(F)(F)F)=C(F)C1.
What is the InChIKey of 2-fluoro-4-methyl-1-(trifluoromethyl)cyclohexene?
The InChIKey is AGELWEGHQXNXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F4/c1-5-2-3-6(7(9)4-5)8(10,11)12/h5H,2-4H2,1H3.
What are the key properties of 2-fluoro-4-methyl-1-(trifluoromethyl)cyclohexene?
2-fluoro-4-methyl-1-(trifluoromethyl)cyclohexene has a molecular weight of 182.16 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-1-(trifluoromethyl)cyclohexene is sourced from PubChem (CID 146937347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).