N-[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl chloride

C8H4Cl2F3NO — CID 22150859

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl chloride
SMILESO=C(Cl)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C8H4Cl2F3NO/c9-6-2-1-4(14-7(10)15)3-5(6)8(11,12)13/h1-3H,(H,14,15)
InChIKeyWUFCWZBEGPHDEE-UHFFFAOYSA-N
MW258.03 g/mol
LogP4.13
Rot. Bonds1

About N-[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl chloride

N-[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl chloride (PubChem CID 22150859) has the molecular formula C8H4Cl2F3NO and a molecular weight of 258.03 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl chloride.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl chloride
PubChem CID22150859
Molecular FormulaC8H4Cl2F3NO
Molecular Weight258.03 g/mol
Exact Mass256.96
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl chloride
SMILESO=C(Cl)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C8H4Cl2F3NO/c9-6-2-1-4(14-7(10)15)3-5(6)8(11,12)13/h1-3H,(H,14,15)
InChIKeyWUFCWZBEGPHDEE-UHFFFAOYSA-N
XLogP4.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.03
LogP ≤ 54.13
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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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl chloride?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl chloride (CID 22150859) is N-[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl chloride.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl chloride?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl chloride is O=C(Cl)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl chloride?
The InChIKey is WUFCWZBEGPHDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2F3NO/c9-6-2-1-4(14-7(10)15)3-5(6)8(11,12)13/h1-3H,(H,14,15).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl chloride?
N-[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl chloride has a molecular weight of 258.03 g/mol, XLogP of 4.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl chloride is sourced from PubChem (CID 22150859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).