1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxylic acid

C15H17F3O3 — CID 62740964

IUPAC1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(Cc2ccc(OC(F)(F)F)cc2)CCCCC1
InChIInChI=1S/C15H17F3O3/c16-15(17,18)21-12-6-4-11(5-7-12)10-14(13(19)20)8-2-1-3-9-14/h4-7H,1-3,8-10H2,(H,19,20)
InChIKeyQZFWDJBFDNUZAG-UHFFFAOYSA-N
MW302.29 g/mol
LogP4.16
Rot. Bonds4

About 1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxylic acid

1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxylic acid (PubChem CID 62740964) has the molecular formula C15H17F3O3 and a molecular weight of 302.29 g/mol. Its IUPAC name is 1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxylic acid
PubChem CID62740964
Molecular FormulaC15H17F3O3
Molecular Weight302.29 g/mol
Exact Mass302.11
IUPAC Name1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(Cc2ccc(OC(F)(F)F)cc2)CCCCC1
InChIInChI=1S/C15H17F3O3/c16-15(17,18)21-12-6-4-11(5-7-12)10-14(13(19)20)8-2-1-3-9-14/h4-7H,1-3,8-10H2,(H,19,20)
InChIKeyQZFWDJBFDNUZAG-UHFFFAOYSA-N
XLogP4.16
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxylic acid 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

1-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxylic acid
CID 22660130
1-[(4-ethylphenyl)methyl]cyclohexane-1-carboxylic acid
CID 62738855
1-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 119276278
[4-(trifluoromethoxy)phenyl] 2-(1-hydroxycyclohexyl)acetate
CID 91574201
4-[[4-(trifluoromethyl)phenyl]methyl]oxane-4-carboxylic acid
CID 62906139
1-[(4-chloro-3-fluorophenyl)methyl]cycloheptane-1-carboxylic acid
CID 107889012
N-[(1-hydroxycyclopentyl)methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 111331191
2-[4-[[1-[[[4-(trifluoromethoxy)phenyl]sulfonylamino]methyl]cyclopentyl]methyl]phenyl]acetic acid
CID 18999492
4-[[4-(trifluoromethoxy)phenyl]methyl]oxan-4-ol
CID 65145878
2-(1-hydroxycyclohexyl)-2-[4-(trifluoromethoxy)phenyl]acetic acid
CID 68852749
1-[(3-methoxyphenyl)methyl]cyclooctane-1-carboxylic acid
CID 80611133
2-oxo-3-[4-(trifluoromethoxy)phenyl]propanoic acid
CID 16790000

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxylic acid (CID 62740964) is 1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxylic acid is O=C(O)C1(Cc2ccc(OC(F)(F)F)cc2)CCCCC1.
What is the InChIKey of 1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is QZFWDJBFDNUZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3O3/c16-15(17,18)21-12-6-4-11(5-7-12)10-14(13(19)20)8-2-1-3-9-14/h4-7H,1-3,8-10H2,(H,19,20).
What are the key properties of 1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxylic acid?
1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 302.29 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 62740964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).