(4S)-4-methyl-1-(trifluoromethyl)cyclohexene

C8H11F3 — CID 138465189

IUPAC(4S)-4-methyl-1-(trifluoromethyl)cyclohexene
SMILESC[C@@H]1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C8H11F3/c1-6-2-4-7(5-3-6)8(9,10)11/h4,6H,2-3,5H2,1H3/t6-/m1/s1
InChIKeyYUGHWJURNOYLMN-ZCFIWIBFSA-N
MW164.17 g/mol
LogP3.30
Rot. Bonds

About (4S)-4-methyl-1-(trifluoromethyl)cyclohexene

(4S)-4-methyl-1-(trifluoromethyl)cyclohexene (PubChem CID 138465189) has the molecular formula C8H11F3 and a molecular weight of 164.17 g/mol. Its IUPAC name is (4S)-4-methyl-1-(trifluoromethyl)cyclohexene.

Molecular Properties

Compound Name(4S)-4-methyl-1-(trifluoromethyl)cyclohexene
PubChem CID138465189
Molecular FormulaC8H11F3
Molecular Weight164.17 g/mol
Exact Mass164.08
IUPAC Name(4S)-4-methyl-1-(trifluoromethyl)cyclohexene
SMILESC[C@@H]1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C8H11F3/c1-6-2-4-7(5-3-6)8(9,10)11/h4,6H,2-3,5H2,1H3/t6-/m1/s1
InChIKeyYUGHWJURNOYLMN-ZCFIWIBFSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-1-(trifluoromethyl)cyclohexene?
The IUPAC name of (4S)-4-methyl-1-(trifluoromethyl)cyclohexene (CID 138465189) is (4S)-4-methyl-1-(trifluoromethyl)cyclohexene.
What is the SMILES notation for (4S)-4-methyl-1-(trifluoromethyl)cyclohexene?
The canonical SMILES for (4S)-4-methyl-1-(trifluoromethyl)cyclohexene is C[C@@H]1CC=C(C(F)(F)F)CC1.
What is the InChIKey of (4S)-4-methyl-1-(trifluoromethyl)cyclohexene?
The InChIKey is YUGHWJURNOYLMN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H11F3/c1-6-2-4-7(5-3-6)8(9,10)11/h4,6H,2-3,5H2,1H3/t6-/m1/s1.
What are the key properties of (4S)-4-methyl-1-(trifluoromethyl)cyclohexene?
(4S)-4-methyl-1-(trifluoromethyl)cyclohexene has a molecular weight of 164.17 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-1-(trifluoromethyl)cyclohexene is sourced from PubChem (CID 138465189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).