N-[2-(trifluoromethyl)phenyl]carbamoyl chloride

C8H5ClF3NO — CID 84820766

IUPACN-[2-(trifluoromethyl)phenyl]carbamoyl chloride
SMILESO=C(Cl)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C8H5ClF3NO/c9-7(14)13-6-4-2-1-3-5(6)8(10,11)12/h1-4H,(H,13,14)
InChIKeyOJMYYQMVVXFKDT-UHFFFAOYSA-N
MW223.58 g/mol
LogP3.48
Rot. Bonds1

About N-[2-(trifluoromethyl)phenyl]carbamoyl chloride

N-[2-(trifluoromethyl)phenyl]carbamoyl chloride (PubChem CID 84820766) has the molecular formula C8H5ClF3NO and a molecular weight of 223.58 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)phenyl]carbamoyl chloride.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)phenyl]carbamoyl chloride
PubChem CID84820766
Molecular FormulaC8H5ClF3NO
Molecular Weight223.58 g/mol
Exact Mass223.00
IUPAC NameN-[2-(trifluoromethyl)phenyl]carbamoyl chloride
SMILESO=C(Cl)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C8H5ClF3NO/c9-7(14)13-6-4-2-1-3-5(6)8(10,11)12/h1-4H,(H,13,14)
InChIKeyOJMYYQMVVXFKDT-UHFFFAOYSA-N
XLogP3.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.58
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
(Z)-2,3-dichloro-4-oxo-4-[2-(trifluoromethyl)anilino]but-2-enoate
CID 7315411
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
1-(4-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 727784
[(E)-1-chloroethylideneamino] N-[2-(trifluoromethyl)phenyl]carbamate
CID 5466027
2-methyl-2-(methylamino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 62834657
2-methoxy-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113225450
1-carbamothioyl-3-[2-(trifluoromethyl)phenyl]urea
CID 134125791
[(Z)-1,2-dichloroethylideneamino] N-[2-(trifluoromethyl)phenyl]carbamate
CID 98107995
2-[(2-chloroacetyl)-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2095781
6-methoxy-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 90509411
1-(1H-pyrazol-5-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 61394455

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)phenyl]carbamoyl chloride?
The IUPAC name of N-[2-(trifluoromethyl)phenyl]carbamoyl chloride (CID 84820766) is N-[2-(trifluoromethyl)phenyl]carbamoyl chloride.
What is the SMILES notation for N-[2-(trifluoromethyl)phenyl]carbamoyl chloride?
The canonical SMILES for N-[2-(trifluoromethyl)phenyl]carbamoyl chloride is O=C(Cl)Nc1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-(trifluoromethyl)phenyl]carbamoyl chloride?
The InChIKey is OJMYYQMVVXFKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3NO/c9-7(14)13-6-4-2-1-3-5(6)8(10,11)12/h1-4H,(H,13,14).
What are the key properties of N-[2-(trifluoromethyl)phenyl]carbamoyl chloride?
N-[2-(trifluoromethyl)phenyl]carbamoyl chloride has a molecular weight of 223.58 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)phenyl]carbamoyl chloride is sourced from PubChem (CID 84820766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).