[2-[2-(trifluoromethyl)phenyl]phenyl]carbamic acid

C14H10F3NO2 — CID 69312353

IUPAC[2-[2-(trifluoromethyl)phenyl]phenyl]carbamic acid
SMILESO=C(O)Nc1ccccc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)11-7-3-1-5-9(11)10-6-2-4-8-12(10)18-13(19)20/h1-8,18H,(H,19,20)
InChIKeyYMXLKUSWQMHNJH-UHFFFAOYSA-N
MW281.23 g/mol
LogP4.46
Rot. Bonds2

About [2-[2-(trifluoromethyl)phenyl]phenyl]carbamic acid

[2-[2-(trifluoromethyl)phenyl]phenyl]carbamic acid (PubChem CID 69312353) has the molecular formula C14H10F3NO2 and a molecular weight of 281.23 g/mol. Its IUPAC name is [2-[2-(trifluoromethyl)phenyl]phenyl]carbamic acid.

Molecular Properties

Compound Name[2-[2-(trifluoromethyl)phenyl]phenyl]carbamic acid
PubChem CID69312353
Molecular FormulaC14H10F3NO2
Molecular Weight281.23 g/mol
Exact Mass281.07
IUPAC Name[2-[2-(trifluoromethyl)phenyl]phenyl]carbamic acid
SMILESO=C(O)Nc1ccccc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)11-7-3-1-5-9(11)10-6-2-4-8-12(10)18-13(19)20/h1-8,18H,(H,19,20)
InChIKeyYMXLKUSWQMHNJH-UHFFFAOYSA-N
XLogP4.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
5-fluoro-1-methyl-3-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide
CID 174542848
N-[2-(trifluoromethyl)phenyl]carbamoyl chloride
CID 84820766
2-(carbamoylamino)-4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]benzoic acid
CID 18471660
2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-(2-phenylphenyl)acetamide
CID 17427414
[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]carbamic acid
CID 123391936
[2-[3-(trifluoromethoxy)phenyl]phenyl]carbamic acid
CID 69313407
[4-[[2-(trifluoromethyl)benzoyl]amino]phenyl]carbamic acid
CID 18543447
(E)-3-[2-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]phenyl]prop-2-enoic acid
CID 134621672
3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 52983947
2-[2-(trifluoromethyl)anilino]acetic acid
CID 21238931

Frequently Asked Questions

What is the IUPAC name of [2-[2-(trifluoromethyl)phenyl]phenyl]carbamic acid?
The IUPAC name of [2-[2-(trifluoromethyl)phenyl]phenyl]carbamic acid (CID 69312353) is [2-[2-(trifluoromethyl)phenyl]phenyl]carbamic acid.
What is the SMILES notation for [2-[2-(trifluoromethyl)phenyl]phenyl]carbamic acid?
The canonical SMILES for [2-[2-(trifluoromethyl)phenyl]phenyl]carbamic acid is O=C(O)Nc1ccccc1-c1ccccc1C(F)(F)F.
What is the InChIKey of [2-[2-(trifluoromethyl)phenyl]phenyl]carbamic acid?
The InChIKey is YMXLKUSWQMHNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2/c15-14(16,17)11-7-3-1-5-9(11)10-6-2-4-8-12(10)18-13(19)20/h1-8,18H,(H,19,20).
What are the key properties of [2-[2-(trifluoromethyl)phenyl]phenyl]carbamic acid?
[2-[2-(trifluoromethyl)phenyl]phenyl]carbamic acid has a molecular weight of 281.23 g/mol, XLogP of 4.46, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(trifluoromethyl)phenyl]phenyl]carbamic acid is sourced from PubChem (CID 69312353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).