1-[4-(methoxymethyl)cyclohexyl]-4-(trifluoromethyl)benzene

C15H19F3O — CID 15702001

IUPAC1-[4-(methoxymethyl)cyclohexyl]-4-(trifluoromethyl)benzene
SMILESCOCC1CCC(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C15H19F3O/c1-19-10-11-2-4-12(5-3-11)13-6-8-14(9-7-13)15(16,17)18/h6-9,11-12H,2-5,10H2,1H3
InChIKeyYCWHFOPSADSKMZ-UHFFFAOYSA-N
MW272.31 g/mol
LogP4.63
Rot. Bonds3

About 1-[4-(methoxymethyl)cyclohexyl]-4-(trifluoromethyl)benzene

1-[4-(methoxymethyl)cyclohexyl]-4-(trifluoromethyl)benzene (PubChem CID 15702001) has the molecular formula C15H19F3O and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)cyclohexyl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[4-(methoxymethyl)cyclohexyl]-4-(trifluoromethyl)benzene
PubChem CID15702001
Molecular FormulaC15H19F3O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name1-[4-(methoxymethyl)cyclohexyl]-4-(trifluoromethyl)benzene
SMILESCOCC1CCC(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C15H19F3O/c1-19-10-11-2-4-12(5-3-11)13-6-8-14(9-7-13)15(16,17)18/h6-9,11-12H,2-5,10H2,1H3
InChIKeyYCWHFOPSADSKMZ-UHFFFAOYSA-N
XLogP4.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[4-(methoxymethyl)cyclohexyl]-4-(trifluoromethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-Methoxy-2-methylpropyl)benzene
CID 22336876
beta-Methyl-4-(1-methylethyl)benzenepropanol
CID 107334
6-Phenyl-1-oxaspiro[2.5]octane
CID 11052404
2-(4-(Trifluoromethyl)phenyl)propan-1-ol
CID 65814919
4-(4-Fluorophenyl)-2,3-dimethylbutan-1-ol
CID 140322397
FPMeOcHPa
CID 23391107
4,4-Bis(4-fluorophenyl)butan-1-ol
CID 3016515
3-(Trifluoromethoxy)propylbenzene
CID 23242775
3-[4-(Trifluoromethyl)phenyl]oxolane
CID 89525015
Oxirane, 2-(2-(1,1'-biphenyl-4-yl)ethyl)-
CID 148940
5-Fluoro-3-methyl-4-(2-phenylpropyl)-2,3-dihydrofuran
CID 15524505
3-(Difluoromethylidene)-2-methyl-5-phenylhexan-1-ol
CID 101081484

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)cyclohexyl]-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[4-(methoxymethyl)cyclohexyl]-4-(trifluoromethyl)benzene (CID 15702001) is 1-[4-(methoxymethyl)cyclohexyl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[4-(methoxymethyl)cyclohexyl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[4-(methoxymethyl)cyclohexyl]-4-(trifluoromethyl)benzene is COCC1CCC(c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 1-[4-(methoxymethyl)cyclohexyl]-4-(trifluoromethyl)benzene?
The InChIKey is YCWHFOPSADSKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3O/c1-19-10-11-2-4-12(5-3-11)13-6-8-14(9-7-13)15(16,17)18/h6-9,11-12H,2-5,10H2,1H3.
What are the key properties of 1-[4-(methoxymethyl)cyclohexyl]-4-(trifluoromethyl)benzene?
1-[4-(methoxymethyl)cyclohexyl]-4-(trifluoromethyl)benzene has a molecular weight of 272.31 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)cyclohexyl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 15702001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).