1-(4-chloro-3-fluorophenyl)-2-(2,3-difluorophenyl)ethanamine

C14H11ClF3N — CID 107988898

IUPAC1-(4-chloro-3-fluorophenyl)-2-(2,3-difluorophenyl)ethanamine
SMILESNC(Cc1cccc(F)c1F)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H11ClF3N/c15-10-5-4-8(6-12(10)17)13(19)7-9-2-1-3-11(16)14(9)18/h1-6,13H,7,19H2
InChIKeyXOMLPKKBKDVUIP-UHFFFAOYSA-N
MW285.70 g/mol
LogP4.00
Rot. Bonds3

About 1-(4-chloro-3-fluorophenyl)-2-(2,3-difluorophenyl)ethanamine

1-(4-chloro-3-fluorophenyl)-2-(2,3-difluorophenyl)ethanamine (PubChem CID 107988898) has the molecular formula C14H11ClF3N and a molecular weight of 285.70 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-2-(2,3-difluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-2-(2,3-difluorophenyl)ethanamine
PubChem CID107988898
Molecular FormulaC14H11ClF3N
Molecular Weight285.70 g/mol
Exact Mass285.05
IUPAC Name1-(4-chloro-3-fluorophenyl)-2-(2,3-difluorophenyl)ethanamine
SMILESNC(Cc1cccc(F)c1F)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H11ClF3N/c15-10-5-4-8(6-12(10)17)13(19)7-9-2-1-3-11(16)14(9)18/h1-6,13H,7,19H2
InChIKeyXOMLPKKBKDVUIP-UHFFFAOYSA-N
XLogP4.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.70
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995788
2-(2,3-difluorophenyl)-1-(3,4-difluorophenyl)ethanamine
CID 55095679
1-(4-chloro-3-fluorophenyl)-2-(2,3-dichlorophenyl)ethanamine
CID 107996136
2-(4-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995680
1-(4-chloro-3-fluorophenyl)-2-phenylethanamine
CID 107988729
1-(3-bromo-4-chlorophenyl)-2-(2-chloro-3-fluorophenyl)ethanamine
CID 112653947
1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)ethanamine
CID 107988757
2-(2,3-difluorophenyl)-1-(3-ethoxyphenyl)ethanamine
CID 62606426
1-(4-chloro-3-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 107995696
2-(2,3-difluorophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine
CID 107503218
1-(3,4-dichlorophenyl)-2-(2,3-difluorophenyl)ethanol
CID 65151174
2-(3-chloro-4-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995842

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-2-(2,3-difluorophenyl)ethanamine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-2-(2,3-difluorophenyl)ethanamine (CID 107988898) is 1-(4-chloro-3-fluorophenyl)-2-(2,3-difluorophenyl)ethanamine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-2-(2,3-difluorophenyl)ethanamine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-2-(2,3-difluorophenyl)ethanamine is NC(Cc1cccc(F)c1F)c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-2-(2,3-difluorophenyl)ethanamine?
The InChIKey is XOMLPKKBKDVUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N/c15-10-5-4-8(6-12(10)17)13(19)7-9-2-1-3-11(16)14(9)18/h1-6,13H,7,19H2.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-2-(2,3-difluorophenyl)ethanamine?
1-(4-chloro-3-fluorophenyl)-2-(2,3-difluorophenyl)ethanamine has a molecular weight of 285.70 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-2-(2,3-difluorophenyl)ethanamine is sourced from PubChem (CID 107988898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).