1-(6-chloro-2,3-difluorophenyl)ethanamine

C8H8ClF2N — CID 130512093

IUPAC1-(6-chloro-2,3-difluorophenyl)ethanamine
SMILESCC(N)c1c(Cl)ccc(F)c1F
InChIInChI=1S/C8H8ClF2N/c1-4(12)7-5(9)2-3-6(10)8(7)11/h2-4H,12H2,1H3
InChIKeySZLKLWCAOLJILB-UHFFFAOYSA-N
MW191.61 g/mol
LogP2.64
Rot. Bonds1

About 1-(6-chloro-2,3-difluorophenyl)ethanamine

1-(6-chloro-2,3-difluorophenyl)ethanamine (PubChem CID 130512093) has the molecular formula C8H8ClF2N and a molecular weight of 191.61 g/mol. Its IUPAC name is 1-(6-chloro-2,3-difluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(6-chloro-2,3-difluorophenyl)ethanamine
PubChem CID130512093
Molecular FormulaC8H8ClF2N
Molecular Weight191.61 g/mol
Exact Mass191.03
IUPAC Name1-(6-chloro-2,3-difluorophenyl)ethanamine
SMILESCC(N)c1c(Cl)ccc(F)c1F
InChIInChI=1S/C8H8ClF2N/c1-4(12)7-5(9)2-3-6(10)8(7)11/h2-4H,12H2,1H3
InChIKeySZLKLWCAOLJILB-UHFFFAOYSA-N
XLogP2.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.61
LogP ≤ 52.64
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

(1R)-1-(3-chloro-2,6-difluorophenyl)ethanamine
CID 130707834
(1R)-1-(2,3-dichloro-6-fluorophenyl)ethanamine;hydrochloride
CID 171215578
3-(6-chloro-2,3-difluorophenyl)butan-1-amine
CID 130512226
1-(2-chloro-6-fluorophenyl)ethanamine
CID 53394777
2-(1-aminoethyl)-3,4-difluorophenol
CID 84654585
(6-chloro-2,3-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 114275390
2-(6-chloro-2,3-difluorophenyl)propanoic acid
CID 130512139
2-(1-aminoethyl)-6-chloro-3,4-difluorophenol
CID 117296950
1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 55283283
2-amino-1-(3-chloro-2,6-difluorophenyl)propan-1-ol
CID 84687203
(1S,2R)-1-amino-1-(2,6-dichloro-3-fluorophenyl)propan-2-ol
CID 130618254
(1R)-1-(3-chloro-2,6-difluorophenyl)propan-1-amine
CID 130713439

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2,3-difluorophenyl)ethanamine?
The IUPAC name of 1-(6-chloro-2,3-difluorophenyl)ethanamine (CID 130512093) is 1-(6-chloro-2,3-difluorophenyl)ethanamine.
What is the SMILES notation for 1-(6-chloro-2,3-difluorophenyl)ethanamine?
The canonical SMILES for 1-(6-chloro-2,3-difluorophenyl)ethanamine is CC(N)c1c(Cl)ccc(F)c1F.
What is the InChIKey of 1-(6-chloro-2,3-difluorophenyl)ethanamine?
The InChIKey is SZLKLWCAOLJILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2N/c1-4(12)7-5(9)2-3-6(10)8(7)11/h2-4H,12H2,1H3.
What are the key properties of 1-(6-chloro-2,3-difluorophenyl)ethanamine?
1-(6-chloro-2,3-difluorophenyl)ethanamine has a molecular weight of 191.61 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2,3-difluorophenyl)ethanamine is sourced from PubChem (CID 130512093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).