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

C14H10ClF4N — CID 82806473

IUPAC2-(3-chloro-2-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanamine
SMILESNC(Cc1cccc(Cl)c1F)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H10ClF4N/c15-9-3-1-2-7(12(9)17)6-11(20)8-4-5-10(16)14(19)13(8)18/h1-5,11H,6,20H2
InChIKeyLUHPZKZEIMEERA-UHFFFAOYSA-N
MW303.69 g/mol
LogP4.14
Rot. Bonds3

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

2-(3-chloro-2-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanamine (PubChem CID 82806473) has the molecular formula C14H10ClF4N and a molecular weight of 303.69 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanamine
PubChem CID82806473
Molecular FormulaC14H10ClF4N
Molecular Weight303.69 g/mol
Exact Mass303.04
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanamine
SMILESNC(Cc1cccc(Cl)c1F)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H10ClF4N/c15-9-3-1-2-7(12(9)17)6-11(20)8-4-5-10(16)14(19)13(8)18/h1-5,11H,6,20H2
InChIKeyLUHPZKZEIMEERA-UHFFFAOYSA-N
XLogP4.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.69
LogP ≤ 54.14
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

2-(3-chloro-2-fluorophenyl)-1-(5-chloro-2-fluorophenyl)ethanamine
CID 102858038
1-(3-chloro-2-fluorophenyl)-2-(2-fluorophenyl)ethanamine
CID 64713277
1-(2-chloro-3-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
CID 102866438
1-(3-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanamine
CID 64714150
2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 105035477
2-(2-chlorophenyl)-1-(2,3-difluoro-4-methylphenyl)ethanamine
CID 107513256
1-(3-bromo-2-chlorophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
CID 102866631
2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995788
1-(3-chloro-2-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol
CID 82806467
1-(3-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine
CID 64713656
2-(3-chloro-2-fluorophenyl)-1-(4-ethylphenyl)ethanamine
CID 82806145
1-(4-bromophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
CID 102857503

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanamine?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanamine (CID 82806473) is 2-(3-chloro-2-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanamine.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanamine?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanamine is NC(Cc1cccc(Cl)c1F)c1ccc(F)c(F)c1F.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanamine?
The InChIKey is LUHPZKZEIMEERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF4N/c15-9-3-1-2-7(12(9)17)6-11(20)8-4-5-10(16)14(19)13(8)18/h1-5,11H,6,20H2.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanamine?
2-(3-chloro-2-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanamine has a molecular weight of 303.69 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanamine is sourced from PubChem (CID 82806473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).