2-fluoro-2-phenyl-2-(2,3,4-trifluorophenyl)ethanamine

C14H11F4N — CID 112566344

IUPAC2-fluoro-2-phenyl-2-(2,3,4-trifluorophenyl)ethanamine
SMILESNCC(F)(c1ccccc1)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H11F4N/c15-11-7-6-10(12(16)13(11)17)14(18,8-19)9-4-2-1-3-5-9/h1-7H,8,19H2
InChIKeyFDUYITLIYKVZPS-UHFFFAOYSA-N
MW269.24 g/mol
LogP3.28
Rot. Bonds3

About 2-fluoro-2-phenyl-2-(2,3,4-trifluorophenyl)ethanamine

2-fluoro-2-phenyl-2-(2,3,4-trifluorophenyl)ethanamine (PubChem CID 112566344) has the molecular formula C14H11F4N and a molecular weight of 269.24 g/mol. Its IUPAC name is 2-fluoro-2-phenyl-2-(2,3,4-trifluorophenyl)ethanamine.

Molecular Properties

Compound Name2-fluoro-2-phenyl-2-(2,3,4-trifluorophenyl)ethanamine
PubChem CID112566344
Molecular FormulaC14H11F4N
Molecular Weight269.24 g/mol
Exact Mass269.08
IUPAC Name2-fluoro-2-phenyl-2-(2,3,4-trifluorophenyl)ethanamine
SMILESNCC(F)(c1ccccc1)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H11F4N/c15-11-7-6-10(12(16)13(11)17)14(18,8-19)9-4-2-1-3-5-9/h1-7H,8,19H2
InChIKeyFDUYITLIYKVZPS-UHFFFAOYSA-N
XLogP3.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.24
LogP ≤ 53.28
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-(2,5-difluorophenyl)-2-fluoro-2-phenylethanamine
CID 112566313
diphenyl-(2,3,4-trifluorophenyl)methanol
CID 175484438
2-(3-bromo-2,6-difluorophenyl)-2-fluoro-2-phenylethanamine
CID 106943960
1-phenyl-1-(2,3,4-trifluorophenyl)butan-1-amine
CID 62963914
3-amino-1,1,1-trifluoro-2-(2,3,4-trifluorophenyl)propan-2-ol
CID 63081377
2-(4-tert-butylphenyl)-2-fluoro-2-phenylethanamine
CID 115918107
2-(2,3-dimethylphenyl)-2-fluoro-2-phenylethanamine
CID 112566318
N-(2,2-difluoro-2-phenylethyl)-2,3,4-trifluoroaniline
CID 116788722
2-(5-chlorothiophen-2-yl)-2-fluoro-2-phenylethanamine
CID 112566303
2-(2,3-dihydro-1-benzofuran-7-yl)-2-fluoro-2-phenylethanamine
CID 114747716
2-methyl-3-phenyl-2-(2,3,4-trifluorophenyl)propanoyl chloride
CID 117048253
2-fluoro-2-phenyl-2-(4-propoxyphenyl)ethanamine
CID 115918108

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-phenyl-2-(2,3,4-trifluorophenyl)ethanamine?
The IUPAC name of 2-fluoro-2-phenyl-2-(2,3,4-trifluorophenyl)ethanamine (CID 112566344) is 2-fluoro-2-phenyl-2-(2,3,4-trifluorophenyl)ethanamine.
What is the SMILES notation for 2-fluoro-2-phenyl-2-(2,3,4-trifluorophenyl)ethanamine?
The canonical SMILES for 2-fluoro-2-phenyl-2-(2,3,4-trifluorophenyl)ethanamine is NCC(F)(c1ccccc1)c1ccc(F)c(F)c1F.
What is the InChIKey of 2-fluoro-2-phenyl-2-(2,3,4-trifluorophenyl)ethanamine?
The InChIKey is FDUYITLIYKVZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4N/c15-11-7-6-10(12(16)13(11)17)14(18,8-19)9-4-2-1-3-5-9/h1-7H,8,19H2.
What are the key properties of 2-fluoro-2-phenyl-2-(2,3,4-trifluorophenyl)ethanamine?
2-fluoro-2-phenyl-2-(2,3,4-trifluorophenyl)ethanamine has a molecular weight of 269.24 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-phenyl-2-(2,3,4-trifluorophenyl)ethanamine is sourced from PubChem (CID 112566344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).