1-(4-methylcyclohex-3-en-1-yl)-3-(trifluoromethyl)benzene

C14H15F3 — CID 150114340

IUPAC1-(4-methylcyclohex-3-en-1-yl)-3-(trifluoromethyl)benzene
SMILESCC1=CCC(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H15F3/c1-10-5-7-11(8-6-10)12-3-2-4-13(9-12)14(15,16)17/h2-5,9,11H,6-8H2,1H3
InChIKeyDXXRMFJJVDWJAY-UHFFFAOYSA-N
MW240.27 g/mol
LogP4.92
Rot. Bonds1

About 1-(4-methylcyclohex-3-en-1-yl)-3-(trifluoromethyl)benzene

1-(4-methylcyclohex-3-en-1-yl)-3-(trifluoromethyl)benzene (PubChem CID 150114340) has the molecular formula C14H15F3 and a molecular weight of 240.27 g/mol. Its IUPAC name is 1-(4-methylcyclohex-3-en-1-yl)-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(4-methylcyclohex-3-en-1-yl)-3-(trifluoromethyl)benzene
PubChem CID150114340
Molecular FormulaC14H15F3
Molecular Weight240.27 g/mol
Exact Mass240.11
IUPAC Name1-(4-methylcyclohex-3-en-1-yl)-3-(trifluoromethyl)benzene
SMILESCC1=CCC(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H15F3/c1-10-5-7-11(8-6-10)12-3-2-4-13(9-12)14(15,16)17/h2-5,9,11H,6-8H2,1H3
InChIKeyDXXRMFJJVDWJAY-UHFFFAOYSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-3-(trifluoromethyl)benzene
CID 12509713
1-cyclobutyl-3-(trifluoromethyl)benzene
CID 67441515
1-cyclopropyl-3-(trifluoromethyl)benzene;formonitrile
CID 159608211
1-methyl-4-[3-(trifluoromethyl)phenyl]piperidine
CID 18722963
1-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 18722940
3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 64502717
1-chloro-3-[3-(trifluoromethyl)phenyl]cycloheptane
CID 64506404
N,N-diethyl-3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 153367568
cis-(1R,3S)-N-ethyl-N-methyl-3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 153367450
1-methyl-5-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrimidin-2-amine
CID 70506163
(2R)-2-[3-(trifluoromethyl)phenyl]azetidine;hydrochloride
CID 171197302
1-propyl-3-[3-(trifluoromethyl)phenyl]piperidine
CID 3053803

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohex-3-en-1-yl)-3-(trifluoromethyl)benzene?
The IUPAC name of 1-(4-methylcyclohex-3-en-1-yl)-3-(trifluoromethyl)benzene (CID 150114340) is 1-(4-methylcyclohex-3-en-1-yl)-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(4-methylcyclohex-3-en-1-yl)-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-(4-methylcyclohex-3-en-1-yl)-3-(trifluoromethyl)benzene is CC1=CCC(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-(4-methylcyclohex-3-en-1-yl)-3-(trifluoromethyl)benzene?
The InChIKey is DXXRMFJJVDWJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3/c1-10-5-7-11(8-6-10)12-3-2-4-13(9-12)14(15,16)17/h2-5,9,11H,6-8H2,1H3.
What are the key properties of 1-(4-methylcyclohex-3-en-1-yl)-3-(trifluoromethyl)benzene?
1-(4-methylcyclohex-3-en-1-yl)-3-(trifluoromethyl)benzene has a molecular weight of 240.27 g/mol, XLogP of 4.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohex-3-en-1-yl)-3-(trifluoromethyl)benzene is sourced from PubChem (CID 150114340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).