[2-fluoro-4-methyl-5-(trifluoromethoxy)phenyl]carbamic acid

C9H7F4NO3 — CID 175536008

IUPAC[2-fluoro-4-methyl-5-(trifluoromethoxy)phenyl]carbamic acid
SMILESCc1cc(F)c(NC(=O)O)cc1OC(F)(F)F
InChIInChI=1S/C9H7F4NO3/c1-4-2-5(10)6(14-8(15)16)3-7(4)17-9(11,12)13/h2-3,14H,1H3,(H,15,16)
InChIKeyICWLZCNWXVPBAQ-UHFFFAOYSA-N
MW253.15 g/mol
LogP3.12
Rot. Bonds2

About [2-fluoro-4-methyl-5-(trifluoromethoxy)phenyl]carbamic acid

[2-fluoro-4-methyl-5-(trifluoromethoxy)phenyl]carbamic acid (PubChem CID 175536008) has the molecular formula C9H7F4NO3 and a molecular weight of 253.15 g/mol. Its IUPAC name is [2-fluoro-4-methyl-5-(trifluoromethoxy)phenyl]carbamic acid.

Molecular Properties

Compound Name[2-fluoro-4-methyl-5-(trifluoromethoxy)phenyl]carbamic acid
PubChem CID175536008
Molecular FormulaC9H7F4NO3
Molecular Weight253.15 g/mol
Exact Mass253.04
IUPAC Name[2-fluoro-4-methyl-5-(trifluoromethoxy)phenyl]carbamic acid
SMILESCc1cc(F)c(NC(=O)O)cc1OC(F)(F)F
InChIInChI=1S/C9H7F4NO3/c1-4-2-5(10)6(14-8(15)16)3-7(4)17-9(11,12)13/h2-3,14H,1H3,(H,15,16)
InChIKeyICWLZCNWXVPBAQ-UHFFFAOYSA-N
XLogP3.12
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.15
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-fluoro-4-methyl-5-(trifluoromethoxy)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

methyl N-[2-fluoro-4-methyl-5-(trifluoromethoxy)phenyl]carbamate
CID 164584342
(2,4,5-trifluorophenyl)carbamic acid
CID 89413895
phenyl N-(5-ethoxy-2-fluoro-4-methylphenyl)carbamate
CID 164584343
2-fluoro-5-methyl-4-(trifluoromethoxy)aniline
CID 130926046
1-[2-bromo-5-methyl-4-(trifluoromethoxy)phenyl]ethanone
CID 171000680
[3-bromo-4-(trifluoromethoxy)phenyl]carbamic acid
CID 23139549
2-chloro-N-[3-methyl-4-(trifluoromethoxy)phenyl]acetamide
CID 166430570
[5-[2-(dicyanomethylidene)hydrazinyl]-4-fluoro-2-methylphenyl] trifluoromethanesulfonate
CID 169338697
N-(4-acetamido-2,5-difluorophenyl)acetamide
CID 176892585
(E)-3-[4-methyl-3-(trifluoromethoxy)phenyl]prop-2-enoic acid
CID 134650057
(4-fluoro-3,5-dimethylphenyl)carbamic acid
CID 175535904
1-[2,4-difluoro-5-(trifluoromethoxy)phenyl]ethanone
CID 171006054

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-methyl-5-(trifluoromethoxy)phenyl]carbamic acid?
The IUPAC name of [2-fluoro-4-methyl-5-(trifluoromethoxy)phenyl]carbamic acid (CID 175536008) is [2-fluoro-4-methyl-5-(trifluoromethoxy)phenyl]carbamic acid.
What is the SMILES notation for [2-fluoro-4-methyl-5-(trifluoromethoxy)phenyl]carbamic acid?
The canonical SMILES for [2-fluoro-4-methyl-5-(trifluoromethoxy)phenyl]carbamic acid is Cc1cc(F)c(NC(=O)O)cc1OC(F)(F)F.
What is the InChIKey of [2-fluoro-4-methyl-5-(trifluoromethoxy)phenyl]carbamic acid?
The InChIKey is ICWLZCNWXVPBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F4NO3/c1-4-2-5(10)6(14-8(15)16)3-7(4)17-9(11,12)13/h2-3,14H,1H3,(H,15,16).
What are the key properties of [2-fluoro-4-methyl-5-(trifluoromethoxy)phenyl]carbamic acid?
[2-fluoro-4-methyl-5-(trifluoromethoxy)phenyl]carbamic acid has a molecular weight of 253.15 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-methyl-5-(trifluoromethoxy)phenyl]carbamic acid is sourced from PubChem (CID 175536008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).