[(1R,2S,4S)-4-hydroxy-2-[4-(trifluoromethyl)phenyl]cyclohexyl]carbamic acid

C14H16F3NO3 — CID 67362386

IUPAC[(1R,2S,4S)-4-hydroxy-2-[4-(trifluoromethyl)phenyl]cyclohexyl]carbamic acid
SMILESO=C(O)N[C@@H]1CC[C@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H16F3NO3/c15-14(16,17)9-3-1-8(2-4-9)11-7-10(19)5-6-12(11)18-13(20)21/h1-4,10-12,18-19H,5-7H2,(H,20,21)/t10-,11-,12+/m0/s1
InChIKeyJKUVGHLCNPDVJW-SDDRHHMPSA-N
MW303.28 g/mol
LogP2.97
Rot. Bonds2

About [(1R,2S,4S)-4-hydroxy-2-[4-(trifluoromethyl)phenyl]cyclohexyl]carbamic acid

[(1R,2S,4S)-4-hydroxy-2-[4-(trifluoromethyl)phenyl]cyclohexyl]carbamic acid (PubChem CID 67362386) has the molecular formula C14H16F3NO3 and a molecular weight of 303.28 g/mol. Its IUPAC name is [(1R,2S,4S)-4-hydroxy-2-[4-(trifluoromethyl)phenyl]cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[(1R,2S,4S)-4-hydroxy-2-[4-(trifluoromethyl)phenyl]cyclohexyl]carbamic acid
PubChem CID67362386
Molecular FormulaC14H16F3NO3
Molecular Weight303.28 g/mol
Exact Mass303.11
IUPAC Name[(1R,2S,4S)-4-hydroxy-2-[4-(trifluoromethyl)phenyl]cyclohexyl]carbamic acid
SMILESO=C(O)N[C@@H]1CC[C@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H16F3NO3/c15-14(16,17)9-3-1-8(2-4-9)11-7-10(19)5-6-12(11)18-13(20)21/h1-4,10-12,18-19H,5-7H2,(H,20,21)/t10-,11-,12+/m0/s1
InChIKeyJKUVGHLCNPDVJW-SDDRHHMPSA-N
XLogP2.97
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [(1R,2S,4S)-4-hydroxy-2-[4-(trifluoromethyl)phenyl]cyclohexyl]carbamic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,4S)-4-hydroxy-2-[4-(trifluoromethyl)phenyl]cyclohexyl]carbamic acid?
The IUPAC name of [(1R,2S,4S)-4-hydroxy-2-[4-(trifluoromethyl)phenyl]cyclohexyl]carbamic acid (CID 67362386) is [(1R,2S,4S)-4-hydroxy-2-[4-(trifluoromethyl)phenyl]cyclohexyl]carbamic acid.
What is the SMILES notation for [(1R,2S,4S)-4-hydroxy-2-[4-(trifluoromethyl)phenyl]cyclohexyl]carbamic acid?
The canonical SMILES for [(1R,2S,4S)-4-hydroxy-2-[4-(trifluoromethyl)phenyl]cyclohexyl]carbamic acid is O=C(O)N[C@@H]1CC[C@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of [(1R,2S,4S)-4-hydroxy-2-[4-(trifluoromethyl)phenyl]cyclohexyl]carbamic acid?
The InChIKey is JKUVGHLCNPDVJW-SDDRHHMPSA-N. The full InChI is InChI=1S/C14H16F3NO3/c15-14(16,17)9-3-1-8(2-4-9)11-7-10(19)5-6-12(11)18-13(20)21/h1-4,10-12,18-19H,5-7H2,(H,20,21)/t10-,11-,12+/m0/s1.
What are the key properties of [(1R,2S,4S)-4-hydroxy-2-[4-(trifluoromethyl)phenyl]cyclohexyl]carbamic acid?
[(1R,2S,4S)-4-hydroxy-2-[4-(trifluoromethyl)phenyl]cyclohexyl]carbamic acid has a molecular weight of 303.28 g/mol, XLogP of 2.97, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,4S)-4-hydroxy-2-[4-(trifluoromethyl)phenyl]cyclohexyl]carbamic acid is sourced from PubChem (CID 67362386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).