2-(3-chloro-4,5-difluorophenyl)ethanamine

C8H8ClF2N — CID 117282784

IUPAC2-(3-chloro-4,5-difluorophenyl)ethanamine
SMILESNCCc1cc(F)c(F)c(Cl)c1
InChIInChI=1S/C8H8ClF2N/c9-6-3-5(1-2-12)4-7(10)8(6)11/h3-4H,1-2,12H2
InChIKeyFKBXYUZOSUMLIG-UHFFFAOYSA-N
MW191.61 g/mol
LogP2.12
Rot. Bonds2

About 2-(3-chloro-4,5-difluorophenyl)ethanamine

2-(3-chloro-4,5-difluorophenyl)ethanamine (PubChem CID 117282784) has the molecular formula C8H8ClF2N and a molecular weight of 191.61 g/mol. Its IUPAC name is 2-(3-chloro-4,5-difluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4,5-difluorophenyl)ethanamine
PubChem CID117282784
Molecular FormulaC8H8ClF2N
Molecular Weight191.61 g/mol
Exact Mass191.03
IUPAC Name2-(3-chloro-4,5-difluorophenyl)ethanamine
SMILESNCCc1cc(F)c(F)c(Cl)c1
InChIInChI=1S/C8H8ClF2N/c9-6-3-5(1-2-12)4-7(10)8(6)11/h3-4H,1-2,12H2
InChIKeyFKBXYUZOSUMLIG-UHFFFAOYSA-N
XLogP2.12
TPSA26.02 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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-chloro-2,3-difluoro-5-(fluoromethyl)benzene
CID 23325936
2-(3-chloro-2,5,6-trifluorophenyl)ethanamine
CID 117299579
2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethanamine
CID 117310384
4-(2-aminoethyl)-2,6-dichlorophenol;hydrochloride
CID 23071601
5-(3-aminopropyl)-3-chloro-2-fluorophenol
CID 84777602
2-(3,5-dichlorophenyl)ethanamine
CID 15670830
2-(3,5-difluoro-4-methylsulfanylphenyl)ethanamine
CID 63818519
2-[4-(2,4-dichlorophenoxy)-3,5-difluorophenyl]ethanamine
CID 63803798
2-[4-[(3-chloro-2-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine
CID 102858122
2-(2-aminoethyl)-6-chloro-3,4-difluorophenol
CID 83883525
2-[4-(2-chloro-4-fluorophenoxy)-3,5-difluorophenyl]ethanamine
CID 63816437
3-(3,5-dichloro-4-fluorophenyl)propan-1-ol
CID 117318967

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4,5-difluorophenyl)ethanamine?
The IUPAC name of 2-(3-chloro-4,5-difluorophenyl)ethanamine (CID 117282784) is 2-(3-chloro-4,5-difluorophenyl)ethanamine.
What is the SMILES notation for 2-(3-chloro-4,5-difluorophenyl)ethanamine?
The canonical SMILES for 2-(3-chloro-4,5-difluorophenyl)ethanamine is NCCc1cc(F)c(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4,5-difluorophenyl)ethanamine?
The InChIKey is FKBXYUZOSUMLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2N/c9-6-3-5(1-2-12)4-7(10)8(6)11/h3-4H,1-2,12H2.
What are the key properties of 2-(3-chloro-4,5-difluorophenyl)ethanamine?
2-(3-chloro-4,5-difluorophenyl)ethanamine has a molecular weight of 191.61 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4,5-difluorophenyl)ethanamine is sourced from PubChem (CID 117282784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).