N-(2,3,4-trifluorophenyl)carbamoyl chloride

C7H3ClF3NO — CID 135378895

IUPACN-(2,3,4-trifluorophenyl)carbamoyl chloride
SMILESO=C(Cl)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C7H3ClF3NO/c8-7(13)12-4-2-1-3(9)5(10)6(4)11/h1-2H,(H,12,13)
InChIKeyBTTIVMYGWWTQCP-UHFFFAOYSA-N
MW209.55 g/mol
LogP2.87
Rot. Bonds1

About N-(2,3,4-trifluorophenyl)carbamoyl chloride

N-(2,3,4-trifluorophenyl)carbamoyl chloride (PubChem CID 135378895) has the molecular formula C7H3ClF3NO and a molecular weight of 209.55 g/mol. Its IUPAC name is N-(2,3,4-trifluorophenyl)carbamoyl chloride.

Molecular Properties

Compound NameN-(2,3,4-trifluorophenyl)carbamoyl chloride
PubChem CID135378895
Molecular FormulaC7H3ClF3NO
Molecular Weight209.55 g/mol
Exact Mass208.99
IUPAC NameN-(2,3,4-trifluorophenyl)carbamoyl chloride
SMILESO=C(Cl)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C7H3ClF3NO/c8-7(13)12-4-2-1-3(9)5(10)6(4)11/h1-2H,(H,12,13)
InChIKeyBTTIVMYGWWTQCP-UHFFFAOYSA-N
XLogP2.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.55
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-(2,3,6-trifluorophenyl)carbamoyl chloride
CID 135378921
1-(2,5-dichlorophenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108886224
N-(4-chloro-2-methylphenyl)-N'-(2,3,4-trifluorophenyl)oxamide
CID 108524160
1-propan-2-yl-3-(2,3,4-trifluorophenyl)urea
CID 47173418
1-(2,4-difluorophenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892630
2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propan-2-ylamino]acetic acid
CID 60839471
1-(5-chloro-2-methylphenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892469
4-methyl-N-(2,3,4-trifluorophenyl)benzamide
CID 2110476
N'-propan-2-yl-N-(2,3,4-trifluorophenyl)oxamide
CID 47224066
N'-tert-butyl-N-(2,3,4-trifluorophenyl)oxamide
CID 108506939
2-methoxy-N-(2,3,4-trifluorophenyl)propanamide
CID 112685527
N-(2,3,4-trifluorophenyl)-1,2,5-oxadiazole-3-carboxamide
CID 84579000

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4-trifluorophenyl)carbamoyl chloride?
The IUPAC name of N-(2,3,4-trifluorophenyl)carbamoyl chloride (CID 135378895) is N-(2,3,4-trifluorophenyl)carbamoyl chloride.
What is the SMILES notation for N-(2,3,4-trifluorophenyl)carbamoyl chloride?
The canonical SMILES for N-(2,3,4-trifluorophenyl)carbamoyl chloride is O=C(Cl)Nc1ccc(F)c(F)c1F.
What is the InChIKey of N-(2,3,4-trifluorophenyl)carbamoyl chloride?
The InChIKey is BTTIVMYGWWTQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF3NO/c8-7(13)12-4-2-1-3(9)5(10)6(4)11/h1-2H,(H,12,13).
What are the key properties of N-(2,3,4-trifluorophenyl)carbamoyl chloride?
N-(2,3,4-trifluorophenyl)carbamoyl chloride has a molecular weight of 209.55 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4-trifluorophenyl)carbamoyl chloride is sourced from PubChem (CID 135378895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).