[2-[3-(trifluoromethoxy)phenyl]phenyl]carbamic acid

C14H10F3NO3 — CID 69313407

IUPAC[2-[3-(trifluoromethoxy)phenyl]phenyl]carbamic acid
SMILESO=C(O)Nc1ccccc1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H10F3NO3/c15-14(16,17)21-10-5-3-4-9(8-10)11-6-1-2-7-12(11)18-13(19)20/h1-8,18H,(H,19,20)
InChIKeyRNOQFXPJDRMTQE-UHFFFAOYSA-N
MW297.23 g/mol
LogP4.34
Rot. Bonds3

About [2-[3-(trifluoromethoxy)phenyl]phenyl]carbamic acid

[2-[3-(trifluoromethoxy)phenyl]phenyl]carbamic acid (PubChem CID 69313407) has the molecular formula C14H10F3NO3 and a molecular weight of 297.23 g/mol. Its IUPAC name is [2-[3-(trifluoromethoxy)phenyl]phenyl]carbamic acid.

Molecular Properties

Compound Name[2-[3-(trifluoromethoxy)phenyl]phenyl]carbamic acid
PubChem CID69313407
Molecular FormulaC14H10F3NO3
Molecular Weight297.23 g/mol
Exact Mass297.06
IUPAC Name[2-[3-(trifluoromethoxy)phenyl]phenyl]carbamic acid
SMILESO=C(O)Nc1ccccc1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H10F3NO3/c15-14(16,17)21-10-5-3-4-9(8-10)11-6-1-2-7-12(11)18-13(19)20/h1-8,18H,(H,19,20)
InChIKeyRNOQFXPJDRMTQE-UHFFFAOYSA-N
XLogP4.34
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-[3-(trifluoromethoxy)phenyl]phenyl]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

Related Compounds

2-methyl-6-[3-(trifluoromethoxy)phenyl]benzoic acid
CID 53228226
1-methyl-2-[3-(trifluoromethoxy)phenyl]benzene
CID 18715807
2-fluoro-6-[3-(trifluoromethoxy)phenyl]benzoic acid
CID 53228236
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-[3-(trifluoromethoxy)phenyl]phenyl]carbamate
CID 90851842
N-methyl-2-[2-[3-(trifluoromethoxy)phenyl]phenyl]acetamide
CID 46212144
3-fluoro-4-[3-(trifluoromethoxy)phenyl]benzoic acid
CID 53211302
2-[4-methyl-2-[3-(trifluoromethoxy)phenyl]phenyl]acetic acid
CID 172650218
1,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]benzene
CID 57085724
2-chloro-3-[3-(trifluoromethoxy)phenyl]benzoyl chloride
CID 134619623
4-fluoro-5-methyl-2-[3-(trifluoromethoxy)phenyl]benzoic acid
CID 172914115
1,1-dimethyl-3-[2-phenyl-4-(trifluoromethoxy)phenyl]urea
CID 135019693

Frequently Asked Questions

What is the IUPAC name of [2-[3-(trifluoromethoxy)phenyl]phenyl]carbamic acid?
The IUPAC name of [2-[3-(trifluoromethoxy)phenyl]phenyl]carbamic acid (CID 69313407) is [2-[3-(trifluoromethoxy)phenyl]phenyl]carbamic acid.
What is the SMILES notation for [2-[3-(trifluoromethoxy)phenyl]phenyl]carbamic acid?
The canonical SMILES for [2-[3-(trifluoromethoxy)phenyl]phenyl]carbamic acid is O=C(O)Nc1ccccc1-c1cccc(OC(F)(F)F)c1.
What is the InChIKey of [2-[3-(trifluoromethoxy)phenyl]phenyl]carbamic acid?
The InChIKey is RNOQFXPJDRMTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO3/c15-14(16,17)21-10-5-3-4-9(8-10)11-6-1-2-7-12(11)18-13(19)20/h1-8,18H,(H,19,20).
What are the key properties of [2-[3-(trifluoromethoxy)phenyl]phenyl]carbamic acid?
[2-[3-(trifluoromethoxy)phenyl]phenyl]carbamic acid has a molecular weight of 297.23 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(trifluoromethoxy)phenyl]phenyl]carbamic acid is sourced from PubChem (CID 69313407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).