methyl-[4-(trifluoromethyl)phenyl]carbamic acid

C9H8F3NO2 — CID 54260410

IUPACmethyl-[4-(trifluoromethyl)phenyl]carbamic acid
SMILESCN(C(=O)O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H8F3NO2/c1-13(8(14)15)7-4-2-6(3-5-7)9(10,11)12/h2-5H,1H3,(H,14,15)
InChIKeyRDCGVADTFLEUMP-UHFFFAOYSA-N
MW219.16 g/mol
LogP2.82
Rot. Bonds1

About methyl-[4-(trifluoromethyl)phenyl]carbamic acid

methyl-[4-(trifluoromethyl)phenyl]carbamic acid (PubChem CID 54260410) has the molecular formula C9H8F3NO2 and a molecular weight of 219.16 g/mol. Its IUPAC name is methyl-[4-(trifluoromethyl)phenyl]carbamic acid.

Molecular Properties

Compound Namemethyl-[4-(trifluoromethyl)phenyl]carbamic acid
PubChem CID54260410
Molecular FormulaC9H8F3NO2
Molecular Weight219.16 g/mol
Exact Mass219.05
IUPAC Namemethyl-[4-(trifluoromethyl)phenyl]carbamic acid
SMILESCN(C(=O)O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H8F3NO2/c1-13(8(14)15)7-4-2-6(3-5-7)9(10,11)12/h2-5H,1H3,(H,14,15)
InChIKeyRDCGVADTFLEUMP-UHFFFAOYSA-N
XLogP2.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.16
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[N-methyl-4-(trifluoromethyl)anilino]-2-oxoacetic acid
CID 83630391
2-amino-N-methyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 83538987
N-methyl-N-[4-(trifluoromethyl)phenyl]but-2-ynamide
CID 146585049
N,N-dimethyl-4-(trifluoromethyl)aniline
CID 6432341
N,2,2,4-tetramethyl-3-oxo-N-[4-(trifluoromethyl)phenyl]pentanamide
CID 18709951
methyl(pyridin-4-yl)carbamic acid
CID 54205463
tert-butyl N-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamate
CID 171654852
2-[N-methyl-4-(trifluoromethyl)anilino]butanoic acid
CID 62648084
3-[(1S)-1-cyanoethyl]-1-methyl-1-[4-(trifluoromethyl)phenyl]urea
CID 125488846
4-[N-methyl-4-(trifluoromethyl)anilino]piperidine-1-carboxylic acid
CID 146380644
(4-methoxyphenyl)-methylcarbamic acid
CID 22047987
1-(chloromethyl)-3,3-dimethyl-1-[4-(trifluoromethyl)phenyl]urea
CID 21398150

Frequently Asked Questions

What is the IUPAC name of methyl-[4-(trifluoromethyl)phenyl]carbamic acid?
The IUPAC name of methyl-[4-(trifluoromethyl)phenyl]carbamic acid (CID 54260410) is methyl-[4-(trifluoromethyl)phenyl]carbamic acid.
What is the SMILES notation for methyl-[4-(trifluoromethyl)phenyl]carbamic acid?
The canonical SMILES for methyl-[4-(trifluoromethyl)phenyl]carbamic acid is CN(C(=O)O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of methyl-[4-(trifluoromethyl)phenyl]carbamic acid?
The InChIKey is RDCGVADTFLEUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO2/c1-13(8(14)15)7-4-2-6(3-5-7)9(10,11)12/h2-5H,1H3,(H,14,15).
What are the key properties of methyl-[4-(trifluoromethyl)phenyl]carbamic acid?
methyl-[4-(trifluoromethyl)phenyl]carbamic acid has a molecular weight of 219.16 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[4-(trifluoromethyl)phenyl]carbamic acid is sourced from PubChem (CID 54260410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).