2-(2-chloro-4,5-difluorophenyl)ethanamine;hydrochloride

C8H9Cl2F2N — CID 86091425

IUPAC2-(2-chloro-4,5-difluorophenyl)ethanamine;hydrochloride
SMILESCl.NCCc1cc(F)c(F)cc1Cl
InChIInChI=1S/C8H8ClF2N.ClH/c9-6-4-8(11)7(10)3-5(6)1-2-12;/h3-4H,1-2,12H2;1H
InChIKeyLFFISOLBUQKKFS-UHFFFAOYSA-N
MW228.07 g/mol
LogP2.54
Rot. Bonds2

About 2-(2-chloro-4,5-difluorophenyl)ethanamine;hydrochloride

2-(2-chloro-4,5-difluorophenyl)ethanamine;hydrochloride (PubChem CID 86091425) has the molecular formula C8H9Cl2F2N and a molecular weight of 228.07 g/mol. Its IUPAC name is 2-(2-chloro-4,5-difluorophenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2-chloro-4,5-difluorophenyl)ethanamine;hydrochloride
PubChem CID86091425
Molecular FormulaC8H9Cl2F2N
Molecular Weight228.07 g/mol
Exact Mass227.01
IUPAC Name2-(2-chloro-4,5-difluorophenyl)ethanamine;hydrochloride
SMILESCl.NCCc1cc(F)c(F)cc1Cl
InChIInChI=1S/C8H8ClF2N.ClH/c9-6-4-8(11)7(10)3-5(6)1-2-12;/h3-4H,1-2,12H2;1H
InChIKeyLFFISOLBUQKKFS-UHFFFAOYSA-N
XLogP2.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.07
LogP ≤ 52.54
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

2-(2-bromo-4,5-difluorophenyl)ethanamine;hydrochloride
CID 170912586
bis(2-(2,4-dichlorophenyl)ethanamine);hydrochloride
CID 175176503
2-(5-chloro-2-fluorophenyl)ethanamine
CID 53403693
3-(4-chloro-2,5-difluorophenyl)propan-1-amine
CID 84778847
2-(4-chloro-5-fluoro-2-methoxyphenyl)ethanamine
CID 83881713
2-(3-chloro-2,5,6-trifluorophenyl)ethanamine
CID 117299579
2-(2-aminoethyl)-4-chloro-5-ethylphenol
CID 83880601
3-(2-chloro-4-fluorophenyl)propan-1-amine;hydrochloride
CID 75366828
2-[2-chloro-4-(4-fluorophenyl)sulfanylphenyl]ethanamine
CID 114065045
2-[2-(2-chloro-4,5-difluorophenyl)ethoxy]-N-methylethanamine
CID 107477800
2-(2-chloro-5-methoxyphenyl)ethanamine;hydrochloride
CID 11687211
3-(2-chloro-4,5-difluorophenyl)-2-oxopropanoic acid
CID 19761165

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4,5-difluorophenyl)ethanamine;hydrochloride?
The IUPAC name of 2-(2-chloro-4,5-difluorophenyl)ethanamine;hydrochloride (CID 86091425) is 2-(2-chloro-4,5-difluorophenyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(2-chloro-4,5-difluorophenyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(2-chloro-4,5-difluorophenyl)ethanamine;hydrochloride is Cl.NCCc1cc(F)c(F)cc1Cl.
What is the InChIKey of 2-(2-chloro-4,5-difluorophenyl)ethanamine;hydrochloride?
The InChIKey is LFFISOLBUQKKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2N.ClH/c9-6-4-8(11)7(10)3-5(6)1-2-12;/h3-4H,1-2,12H2;1H.
What are the key properties of 2-(2-chloro-4,5-difluorophenyl)ethanamine;hydrochloride?
2-(2-chloro-4,5-difluorophenyl)ethanamine;hydrochloride has a molecular weight of 228.07 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4,5-difluorophenyl)ethanamine;hydrochloride is sourced from PubChem (CID 86091425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).