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

C14H10F3NO2 — CID 66619011

IUPACphenyl-[2-(trifluoromethyl)phenyl]carbamic acid
SMILESO=C(O)N(c1ccccc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)11-8-4-5-9-12(11)18(13(19)20)10-6-2-1-3-7-10/h1-9H,(H,19,20)
InChIKeySUYNJQQLBQKHAM-UHFFFAOYSA-N
MW281.23 g/mol
LogP4.52
Rot. Bonds2

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

phenyl-[2-(trifluoromethyl)phenyl]carbamic acid (PubChem CID 66619011) has the molecular formula C14H10F3NO2 and a molecular weight of 281.23 g/mol. Its IUPAC name is phenyl-[2-(trifluoromethyl)phenyl]carbamic acid.

Molecular Properties

Compound Namephenyl-[2-(trifluoromethyl)phenyl]carbamic acid
PubChem CID66619011
Molecular FormulaC14H10F3NO2
Molecular Weight281.23 g/mol
Exact Mass281.07
IUPAC Namephenyl-[2-(trifluoromethyl)phenyl]carbamic acid
SMILESO=C(O)N(c1ccccc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)11-8-4-5-9-12(11)18(13(19)20)10-6-2-1-3-7-10/h1-9H,(H,19,20)
InChIKeySUYNJQQLBQKHAM-UHFFFAOYSA-N
XLogP4.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

phenyl-[2-(trifluoromethyl)-3-pyridinyl]carbamic acid
CID 118571309
cobalt;bis(diphenylcarbamic acid)
CID 155679078
[3-fluoro-5-(trifluoromethyl)phenyl]-phenylcarbamic acid
CID 71129201
3,3,3-trifluoro-2-methyl-N,N-diphenyl-2-(trifluoromethyl)propanamide
CID 71672026
phenyl-(2-phenylsulfanylphenyl)carbamic acid
CID 69355896
2-[N-(2-aminoethyl)-2-(trifluoromethyl)anilino]acetic acid
CID 117013526
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-benzyl-N-methylacetamide
CID 113174995
[3-chloro-4-nitro-5-(trifluoromethyl)phenyl]-phenylcarbamic acid
CID 67233128
N-tert-butyl-N-[2-(trifluoromethyl)phenyl]hydroxylamine
CID 58113742
N,N'-bis[2-(trifluoromethyl)phenyl]-N,N'-bis(trimethylsilyl)ethane-1,2-diamine
CID 22251734
N'-benzyl-N'-phenyl-2-(trifluoromethyl)benzohydrazide
CID 55342142
N',N'-diphenyl-2-(trifluoromethyl)benzohydrazide
CID 51537446

Frequently Asked Questions

What is the IUPAC name of phenyl-[2-(trifluoromethyl)phenyl]carbamic acid?
The IUPAC name of phenyl-[2-(trifluoromethyl)phenyl]carbamic acid (CID 66619011) is phenyl-[2-(trifluoromethyl)phenyl]carbamic acid.
What is the SMILES notation for phenyl-[2-(trifluoromethyl)phenyl]carbamic acid?
The canonical SMILES for phenyl-[2-(trifluoromethyl)phenyl]carbamic acid is O=C(O)N(c1ccccc1)c1ccccc1C(F)(F)F.
What is the InChIKey of phenyl-[2-(trifluoromethyl)phenyl]carbamic acid?
The InChIKey is SUYNJQQLBQKHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2/c15-14(16,17)11-8-4-5-9-12(11)18(13(19)20)10-6-2-1-3-7-10/h1-9H,(H,19,20).
What are the key properties of phenyl-[2-(trifluoromethyl)phenyl]carbamic acid?
phenyl-[2-(trifluoromethyl)phenyl]carbamic acid has a molecular weight of 281.23 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[2-(trifluoromethyl)phenyl]carbamic acid is sourced from PubChem (CID 66619011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).