4-Methyl-1-(trifluoromethoxy)cyclohexene

C8H11F3O — CID 149544809

IUPAC4-methyl-1-(trifluoromethoxy)cyclohexene
SMILESCC1CCC(=CC1)OC(F)(F)F
InChIInChI=1S/C8H11F3O/c1-6-2-4-7(5-3-6)12-8(9,10)11/h4,6H,2-3,5H2,1H3
InChIKeyZPELVHGPNUKXJY-UHFFFAOYSA-N
MW180.17 g/mol
LogP3.40
Rot. Bonds1

About 4-Methyl-1-(trifluoromethoxy)cyclohexene

4-Methyl-1-(trifluoromethoxy)cyclohexene (PubChem CID 149544809) has the molecular formula C8H11F3O and a molecular weight of 180.17 g/mol. Its IUPAC name is 4-methyl-1-(trifluoromethoxy)cyclohexene.

Molecular Properties

Compound Name4-Methyl-1-(trifluoromethoxy)cyclohexene
PubChem CID149544809
Molecular FormulaC8H11F3O
Molecular Weight180.17 g/mol
Exact Mass180.08
IUPAC Name4-methyl-1-(trifluoromethoxy)cyclohexene
SMILESCC1CCC(=CC1)OC(F)(F)F
InChIInChI=1S/C8H11F3O/c1-6-2-4-7(5-3-6)12-8(9,10)11/h4,6H,2-3,5H2,1H3
InChIKeyZPELVHGPNUKXJY-UHFFFAOYSA-N
XLogP3.40
TPSA9.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity183

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methoxy-3-methylcyclohexene
CID 519381
1-(Fluoromethoxy)-4-methylcyclohexene
CID 21337853
2-Fluoro-1-methoxy-4-methylcyclohexene
CID 53879972
1-Methoxy-4-(trifluoromethyl)cyclohexene
CID 60006520
(6S)-1,4-difluoro-6-methyl-5-[[(E)-pent-2-en-2-yl]oxymethyl]cyclohexene
CID 70355407
2,6-Difluoro-1-methoxy-5-methyl-4-propan-2-ylcyclohexa-1,3-diene
CID 71073041
3-Fluoro-1-methoxy-6-methylcyclohexene
CID 89143207
1-Propan-2-yl-4-(trifluoromethoxy)cyclohexa-1,3-diene
CID 91084115
1-(1,1-Difluoropropoxy)cyclohexene
CID 122448629
(4R,5S)-4-fluoro-5-methyl-1-propan-2-yloxycyclohexene
CID 122448719
1-(4-Fluorohexa-2,4-dien-3-yl)-5-methyl-4-(trifluoromethoxy)cyclohexa-1,3-diene
CID 123396471
4,5-Dimethyl-2-(trifluoromethoxy)oct-2-ene
CID 123447482

Frequently Asked Questions

What is the IUPAC name of 4-Methyl-1-(trifluoromethoxy)cyclohexene?
The IUPAC name of 4-Methyl-1-(trifluoromethoxy)cyclohexene (CID 149544809) is 4-methyl-1-(trifluoromethoxy)cyclohexene.
What is the SMILES notation for 4-Methyl-1-(trifluoromethoxy)cyclohexene?
The canonical SMILES for 4-Methyl-1-(trifluoromethoxy)cyclohexene is CC1CCC(=CC1)OC(F)(F)F.
What is the InChIKey of 4-Methyl-1-(trifluoromethoxy)cyclohexene?
The InChIKey is ZPELVHGPNUKXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3O/c1-6-2-4-7(5-3-6)12-8(9,10)11/h4,6H,2-3,5H2,1H3.
What are the key properties of 4-Methyl-1-(trifluoromethoxy)cyclohexene?
4-Methyl-1-(trifluoromethoxy)cyclohexene has a molecular weight of 180.17 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Methyl-1-(trifluoromethoxy)cyclohexene is sourced from PubChem (CID 149544809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).