2-chloro-N-ethyl-4,5-difluoroaniline

C8H8ClF2N — CID 130725637

IUPAC2-chloro-N-ethyl-4,5-difluoroaniline
SMILESCCNc1cc(F)c(F)cc1Cl
InChIInChI=1S/C8H8ClF2N/c1-2-12-8-4-7(11)6(10)3-5(8)9/h3-4,12H,2H2,1H3
InChIKeyLGLPKFQIJPQPTL-UHFFFAOYSA-N
MW191.61 g/mol
LogP3.05
Rot. Bonds2

About 2-chloro-N-ethyl-4,5-difluoroaniline

2-chloro-N-ethyl-4,5-difluoroaniline (PubChem CID 130725637) has the molecular formula C8H8ClF2N and a molecular weight of 191.61 g/mol. Its IUPAC name is 2-chloro-N-ethyl-4,5-difluoroaniline.

Molecular Properties

Compound Name2-chloro-N-ethyl-4,5-difluoroaniline
PubChem CID130725637
Molecular FormulaC8H8ClF2N
Molecular Weight191.61 g/mol
Exact Mass191.03
IUPAC Name2-chloro-N-ethyl-4,5-difluoroaniline
SMILESCCNc1cc(F)c(F)cc1Cl
InChIInChI=1S/C8H8ClF2N/c1-2-12-8-4-7(11)6(10)3-5(8)9/h3-4,12H,2H2,1H3
InChIKeyLGLPKFQIJPQPTL-UHFFFAOYSA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.61
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-4,5-difluorophenyl)hydroxylamine
CID 130873686
N'-(2-chloro-5-fluoro-4-methylphenyl)methanediamine
CID 115225495
2-(ethylamino)-4,5-difluorobenzamide
CID 174841980
4-chloro-3-(ethylamino)phenol
CID 146310841
4-chloro-1-N,2-N-diethylbenzene-1,2-diamine
CID 68788018
N,4-diethyl-5-fluoro-2-methylaniline
CID 144881437
5-chloro-2-N-ethyl-4-N-(2,4,5-trifluorophenyl)pyrimidine-2,4-diamine
CID 80824592
3,5-dichloro-N-ethyl-2-methoxyaniline
CID 82267013
3-(2-chloro-5-fluoro-4-methylanilino)propan-1-ol
CID 115216703
6-chloro-N,2-diethyl-7-fluoroquinolin-4-amine
CID 103996830
4-N-(2-chloro-4-fluorophenyl)-1-N-ethyl-2-methylbenzene-1,4-diamine
CID 156868277
N-(2-chloro-4,5-difluorophenyl)-2-methoxy-2-methylpropane-1-sulfonamide
CID 136545525

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-4,5-difluoroaniline?
The IUPAC name of 2-chloro-N-ethyl-4,5-difluoroaniline (CID 130725637) is 2-chloro-N-ethyl-4,5-difluoroaniline.
What is the SMILES notation for 2-chloro-N-ethyl-4,5-difluoroaniline?
The canonical SMILES for 2-chloro-N-ethyl-4,5-difluoroaniline is CCNc1cc(F)c(F)cc1Cl.
What is the InChIKey of 2-chloro-N-ethyl-4,5-difluoroaniline?
The InChIKey is LGLPKFQIJPQPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2N/c1-2-12-8-4-7(11)6(10)3-5(8)9/h3-4,12H,2H2,1H3.
What are the key properties of 2-chloro-N-ethyl-4,5-difluoroaniline?
2-chloro-N-ethyl-4,5-difluoroaniline has a molecular weight of 191.61 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-4,5-difluoroaniline is sourced from PubChem (CID 130725637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).