1-(2-chloro-4,5-difluorophenyl)-2-(4-fluorophenyl)ethanamine

C14H11ClF3N — CID 107476079

IUPAC1-(2-chloro-4,5-difluorophenyl)-2-(4-fluorophenyl)ethanamine
SMILESNC(Cc1ccc(F)cc1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C14H11ClF3N/c15-11-7-13(18)12(17)6-10(11)14(19)5-8-1-3-9(16)4-2-8/h1-4,6-7,14H,5,19H2
InChIKeyNUDUHHXPQJUKBO-UHFFFAOYSA-N
MW285.70 g/mol
LogP4.00
Rot. Bonds3

About 1-(2-chloro-4,5-difluorophenyl)-2-(4-fluorophenyl)ethanamine

1-(2-chloro-4,5-difluorophenyl)-2-(4-fluorophenyl)ethanamine (PubChem CID 107476079) has the molecular formula C14H11ClF3N and a molecular weight of 285.70 g/mol. Its IUPAC name is 1-(2-chloro-4,5-difluorophenyl)-2-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(2-chloro-4,5-difluorophenyl)-2-(4-fluorophenyl)ethanamine
PubChem CID107476079
Molecular FormulaC14H11ClF3N
Molecular Weight285.70 g/mol
Exact Mass285.05
IUPAC Name1-(2-chloro-4,5-difluorophenyl)-2-(4-fluorophenyl)ethanamine
SMILESNC(Cc1ccc(F)cc1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C14H11ClF3N/c15-11-7-13(18)12(17)6-10(11)14(19)5-8-1-3-9(16)4-2-8/h1-4,6-7,14H,5,19H2
InChIKeyNUDUHHXPQJUKBO-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

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)-1-(2,4,5-trifluorophenyl)ethanamine
CID 103301785
1-(2-chloro-4-fluorophenyl)-2-(4-chlorophenyl)ethanamine
CID 61077601
1-(2-chloro-4,5-difluorophenyl)-2-(3-methylphenyl)ethanamine
CID 107475984
1-(4-chloro-2,5-difluorophenyl)-2-(4-methylphenyl)ethanamine
CID 82772910
2-(4-bromophenyl)-1-(2-chloro-4-fluoro-5-methylphenyl)ethanamine
CID 81045980
1-(4-chloro-2,5-difluorophenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107892584
1-(2-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 63419710
5-[1-amino-2-(4-fluorophenyl)ethyl]-6-chloro-1,3-dihydroindol-2-one
CID 43457581
1-(2-chloro-4,5-difluorophenyl)propan-1-amine
CID 103693409
1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-difluorobenzene
CID 107477250
(1R)-1,2-bis(4-fluorophenyl)ethanamine
CID 42058912
1-(2-chloro-4-fluorophenyl)-2-(2,4-difluorophenyl)ethanamine
CID 55152610

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,5-difluorophenyl)-2-(4-fluorophenyl)ethanamine?
The IUPAC name of 1-(2-chloro-4,5-difluorophenyl)-2-(4-fluorophenyl)ethanamine (CID 107476079) is 1-(2-chloro-4,5-difluorophenyl)-2-(4-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(2-chloro-4,5-difluorophenyl)-2-(4-fluorophenyl)ethanamine?
The canonical SMILES for 1-(2-chloro-4,5-difluorophenyl)-2-(4-fluorophenyl)ethanamine is NC(Cc1ccc(F)cc1)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4,5-difluorophenyl)-2-(4-fluorophenyl)ethanamine?
The InChIKey is NUDUHHXPQJUKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N/c15-11-7-13(18)12(17)6-10(11)14(19)5-8-1-3-9(16)4-2-8/h1-4,6-7,14H,5,19H2.
What are the key properties of 1-(2-chloro-4,5-difluorophenyl)-2-(4-fluorophenyl)ethanamine?
1-(2-chloro-4,5-difluorophenyl)-2-(4-fluorophenyl)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-(2-chloro-4,5-difluorophenyl)-2-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 107476079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).