2-(2-chloro-5-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanamine

C14H10ClF4N — CID 102618763

IUPAC2-(2-chloro-5-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanamine
SMILESNC(Cc1cc(F)ccc1Cl)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H10ClF4N/c15-10-2-1-9(16)3-7(10)6-13(20)8-4-11(17)14(19)12(18)5-8/h1-5,13H,6,20H2
InChIKeyDMJRSPJLSVMZOL-UHFFFAOYSA-N
MW303.69 g/mol
LogP4.14
Rot. Bonds3

About 2-(2-chloro-5-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanamine

2-(2-chloro-5-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanamine (PubChem CID 102618763) has the molecular formula C14H10ClF4N and a molecular weight of 303.69 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanamine
PubChem CID102618763
Molecular FormulaC14H10ClF4N
Molecular Weight303.69 g/mol
Exact Mass303.04
IUPAC Name2-(2-chloro-5-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanamine
SMILESNC(Cc1cc(F)ccc1Cl)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H10ClF4N/c15-10-2-1-9(16)3-7(10)6-13(20)8-4-11(17)14(19)12(18)5-8/h1-5,13H,6,20H2
InChIKeyDMJRSPJLSVMZOL-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-(2-chloro-5-fluorophenyl)-1-(4-chlorophenyl)ethanamine
CID 102618374
2-(2-chloro-5-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 102618457
2-(2-chloro-5-fluorophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine
CID 107503345
2-(2-chloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 102622560
1-(4-tert-butylphenyl)-2-(2-chloro-5-fluorophenyl)ethanamine
CID 102622505
1-(4-chloro-3-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 107995696
2-(2-chloro-5-fluorophenyl)-1-(2-chlorophenyl)ethanamine
CID 102618794
1-(4-bromo-3-methylphenyl)-2-(2-chloro-5-fluorophenyl)ethanamine
CID 102622572
2-(2-bromo-5-fluorophenyl)-1-(3-chloro-4-fluorophenyl)ethanamine
CID 63094668
1-(5-bromofuran-2-yl)-2-(2-chloro-5-fluorophenyl)ethanamine
CID 102622582
1-(3-bromo-5-chlorophenyl)-2-(2,5-difluorophenyl)ethanamine
CID 107945220
2-(2-bromo-5-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanamine
CID 115843687

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanamine?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanamine (CID 102618763) is 2-(2-chloro-5-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanamine.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanamine?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanamine is NC(Cc1cc(F)ccc1Cl)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanamine?
The InChIKey is DMJRSPJLSVMZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF4N/c15-10-2-1-9(16)3-7(10)6-13(20)8-4-11(17)14(19)12(18)5-8/h1-5,13H,6,20H2.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanamine?
2-(2-chloro-5-fluorophenyl)-1-(3,4,5-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-(2-chloro-5-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanamine is sourced from PubChem (CID 102618763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).