N-[4-(trifluoromethoxy)phenyl]carbamoyl chloride

C8H5ClF3NO2 — CID 22420988

IUPACN-[4-(trifluoromethoxy)phenyl]carbamoyl chloride
SMILESO=C(Cl)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C8H5ClF3NO2/c9-7(14)13-5-1-3-6(4-2-5)15-8(10,11)12/h1-4H,(H,13,14)
InChIKeyPFJLDAXLWBWSGR-UHFFFAOYSA-N
MW239.58 g/mol
LogP3.36
Rot. Bonds2

About N-[4-(trifluoromethoxy)phenyl]carbamoyl chloride

N-[4-(trifluoromethoxy)phenyl]carbamoyl chloride (PubChem CID 22420988) has the molecular formula C8H5ClF3NO2 and a molecular weight of 239.58 g/mol. Its IUPAC name is N-[4-(trifluoromethoxy)phenyl]carbamoyl chloride.

Molecular Properties

Compound NameN-[4-(trifluoromethoxy)phenyl]carbamoyl chloride
PubChem CID22420988
Molecular FormulaC8H5ClF3NO2
Molecular Weight239.58 g/mol
Exact Mass239.00
IUPAC NameN-[4-(trifluoromethoxy)phenyl]carbamoyl chloride
SMILESO=C(Cl)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C8H5ClF3NO2/c9-7(14)13-5-1-3-6(4-2-5)15-8(10,11)12/h1-4H,(H,13,14)
InChIKeyPFJLDAXLWBWSGR-UHFFFAOYSA-N
XLogP3.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.58
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

[4-(trifluoromethoxy)phenyl]urea
CID 2779224
(E)-4-oxo-4-[4-(trifluoromethoxy)anilino]but-2-enoic acid
CID 676843
(2S)-2-chloro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 2304863
3,3,3-trifluoro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 174736453
(2R)-2,3,3,3-tetrafluoro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 2316804
N'-[4-(trifluoromethoxy)phenyl]propanediamide
CID 140529911
1-(3,5-difluorophenyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 71568254
2-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2678277
N-(4-acetamidophenyl)-2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]acetamide
CID 31390122
2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 26289080
1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 11516527
N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 2711308

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethoxy)phenyl]carbamoyl chloride?
The IUPAC name of N-[4-(trifluoromethoxy)phenyl]carbamoyl chloride (CID 22420988) is N-[4-(trifluoromethoxy)phenyl]carbamoyl chloride.
What is the SMILES notation for N-[4-(trifluoromethoxy)phenyl]carbamoyl chloride?
The canonical SMILES for N-[4-(trifluoromethoxy)phenyl]carbamoyl chloride is O=C(Cl)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[4-(trifluoromethoxy)phenyl]carbamoyl chloride?
The InChIKey is PFJLDAXLWBWSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3NO2/c9-7(14)13-5-1-3-6(4-2-5)15-8(10,11)12/h1-4H,(H,13,14).
What are the key properties of N-[4-(trifluoromethoxy)phenyl]carbamoyl chloride?
N-[4-(trifluoromethoxy)phenyl]carbamoyl chloride has a molecular weight of 239.58 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethoxy)phenyl]carbamoyl chloride is sourced from PubChem (CID 22420988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).