1-[(4-methylcyclohexylidene)methyl]-3-(trifluoromethyl)benzene

C15H17F3 — CID 70967348

IUPAC1-[(4-methylcyclohexylidene)methyl]-3-(trifluoromethyl)benzene
SMILESCC1CCC(=Cc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H17F3/c1-11-5-7-12(8-6-11)9-13-3-2-4-14(10-13)15(16,17)18/h2-4,9-11H,5-8H2,1H3/b12-9-
InChIKeyPPKBERXVDLQPDU-XFXZXTDPSA-N
MW254.30 g/mol
LogP5.30
Rot. Bonds1

About 1-[(4-methylcyclohexylidene)methyl]-3-(trifluoromethyl)benzene

1-[(4-methylcyclohexylidene)methyl]-3-(trifluoromethyl)benzene (PubChem CID 70967348) has the molecular formula C15H17F3 and a molecular weight of 254.30 g/mol. Its IUPAC name is 1-[(4-methylcyclohexylidene)methyl]-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[(4-methylcyclohexylidene)methyl]-3-(trifluoromethyl)benzene
PubChem CID70967348
Molecular FormulaC15H17F3
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name1-[(4-methylcyclohexylidene)methyl]-3-(trifluoromethyl)benzene
SMILESCC1CCC(=Cc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H17F3/c1-11-5-7-12(8-6-11)9-13-3-2-4-14(10-13)15(16,17)18/h2-4,9-11H,5-8H2,1H3/b12-9-
InChIKeyPPKBERXVDLQPDU-XFXZXTDPSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.30
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(cyclopropylidenemethyl)-3-(trifluoromethyl)benzene
CID 89386202
3-[[3-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-amine
CID 79880647
3-[[3-(trifluoromethyl)phenyl]methylidene]pyrrolidine
CID 79880639
(2Z,6E)-4-methyl-2,6-bis[[3-(trifluoromethyl)phenyl]methylidene]cyclohexan-1-one
CID 2329911
4-methylpiperidine;1-methyl-3-(trifluoromethyl)benzene
CID 174852031
3-[[(3S,4S)-4-[(dimethylamino)methyl]-3-[3-(trifluoromethyl)phenyl]cyclohexylidene]methyl]benzoic acid
CID 91191402
ethane;methylcyclopentane;trifluoromethylbenzene
CID 143867816
(3E)-1-methyl-3-(pyridin-4-ylmethylidene)-5-[[3-(trifluoromethyl)phenyl]methylidene]piperidin-4-one
CID 175456871
2-[3-(trifluoromethyl)phenyl]ethenone
CID 13054863
(Z)-4-[3-(trifluoromethyl)phenyl]but-3-en-2-one
CID 23274083
1-(4-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 78768057
(E)-N-(2-methylcyclohexyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 6219909

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylcyclohexylidene)methyl]-3-(trifluoromethyl)benzene?
The IUPAC name of 1-[(4-methylcyclohexylidene)methyl]-3-(trifluoromethyl)benzene (CID 70967348) is 1-[(4-methylcyclohexylidene)methyl]-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[(4-methylcyclohexylidene)methyl]-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-[(4-methylcyclohexylidene)methyl]-3-(trifluoromethyl)benzene is CC1CCC(=Cc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[(4-methylcyclohexylidene)methyl]-3-(trifluoromethyl)benzene?
The InChIKey is PPKBERXVDLQPDU-XFXZXTDPSA-N. The full InChI is InChI=1S/C15H17F3/c1-11-5-7-12(8-6-11)9-13-3-2-4-14(10-13)15(16,17)18/h2-4,9-11H,5-8H2,1H3/b12-9-.
What are the key properties of 1-[(4-methylcyclohexylidene)methyl]-3-(trifluoromethyl)benzene?
1-[(4-methylcyclohexylidene)methyl]-3-(trifluoromethyl)benzene has a molecular weight of 254.30 g/mol, XLogP of 5.30, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylcyclohexylidene)methyl]-3-(trifluoromethyl)benzene is sourced from PubChem (CID 70967348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).