N-chloro-2,3,6-trifluoroaniline

C6H3ClF3N — CID 174856597

IUPACN-chloro-2,3,6-trifluoroaniline
SMILESFc1ccc(F)c(NCl)c1F
InChIInChI=1S/C6H3ClF3N/c7-11-6-4(9)2-1-3(8)5(6)10/h1-2,11H
InChIKeyHGDVMQUUGKPJJE-UHFFFAOYSA-N
MW181.54 g/mol
LogP2.67
Rot. Bonds1

About N-chloro-2,3,6-trifluoroaniline

N-chloro-2,3,6-trifluoroaniline (PubChem CID 174856597) has the molecular formula C6H3ClF3N and a molecular weight of 181.54 g/mol. Its IUPAC name is N-chloro-2,3,6-trifluoroaniline.

Molecular Properties

Compound NameN-chloro-2,3,6-trifluoroaniline
PubChem CID174856597
Molecular FormulaC6H3ClF3N
Molecular Weight181.54 g/mol
Exact Mass180.99
IUPAC NameN-chloro-2,3,6-trifluoroaniline
SMILESFc1ccc(F)c(NCl)c1F
InChIInChI=1S/C6H3ClF3N/c7-11-6-4(9)2-1-3(8)5(6)10/h1-2,11H
InChIKeyHGDVMQUUGKPJJE-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.54
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N-(2,3,6-trifluorophenyl)carbamoyl chloride
CID 135378921
6-(difluoromethyl)-2,3-difluorobenzenethiol
CID 130935007
2-(chloroamino)-3-fluorobenzoic acid
CID 139823776
2-(2,3,6-trifluoroanilino)ethene-1,1,2-tricarbonitrile
CID 168606540
N-(2,3,6-trifluorophenyl)pyridine-4-carboxamide
CID 70841188
2-N-[1-(2,4-dichlorophenyl)ethyl]-3,4-difluorobenzene-1,2-diamine
CID 62533657
N,2,3,4-tetrafluoroaniline
CID 54516145
2,4-difluoro-3-(methylamino)phenol
CID 18457325
(1E)-2,3,4-trifluoro-N-hydroxybenzenecarboximidoyl chloride
CID 134506144
N-[3-(2-chloroacetyl)-2,6-difluorophenyl]acetamide
CID 138485796
2-[[(E)-but-2-en-2-yl]amino]-3,4-difluorobenzoic acid
CID 144842411
N-[1-(2,4-dichlorophenyl)propyl]-2,6-difluoro-3-methylaniline
CID 82799478

Frequently Asked Questions

What is the IUPAC name of N-chloro-2,3,6-trifluoroaniline?
The IUPAC name of N-chloro-2,3,6-trifluoroaniline (CID 174856597) is N-chloro-2,3,6-trifluoroaniline.
What is the SMILES notation for N-chloro-2,3,6-trifluoroaniline?
The canonical SMILES for N-chloro-2,3,6-trifluoroaniline is Fc1ccc(F)c(NCl)c1F.
What is the InChIKey of N-chloro-2,3,6-trifluoroaniline?
The InChIKey is HGDVMQUUGKPJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF3N/c7-11-6-4(9)2-1-3(8)5(6)10/h1-2,11H.
What are the key properties of N-chloro-2,3,6-trifluoroaniline?
N-chloro-2,3,6-trifluoroaniline has a molecular weight of 181.54 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-2,3,6-trifluoroaniline is sourced from PubChem (CID 174856597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).