(1S)-2-fluoro-1-(2,3,5-trifluorophenyl)ethanamine

C8H7F4N — CID 131081639

IUPAC(1S)-2-fluoro-1-(2,3,5-trifluorophenyl)ethanamine
SMILESN[C@H](CF)c1cc(F)cc(F)c1F
InChIInChI=1S/C8H7F4N/c9-3-7(13)5-1-4(10)2-6(11)8(5)12/h1-2,7H,3,13H2/t7-/m1/s1
InChIKeyKPPAPFDUHIUWOT-SSDOTTSWSA-N
MW193.14 g/mol
LogP2.07
Rot. Bonds2

About (1S)-2-fluoro-1-(2,3,5-trifluorophenyl)ethanamine

(1S)-2-fluoro-1-(2,3,5-trifluorophenyl)ethanamine (PubChem CID 131081639) has the molecular formula C8H7F4N and a molecular weight of 193.14 g/mol. Its IUPAC name is (1S)-2-fluoro-1-(2,3,5-trifluorophenyl)ethanamine.

Molecular Properties

Compound Name(1S)-2-fluoro-1-(2,3,5-trifluorophenyl)ethanamine
PubChem CID131081639
Molecular FormulaC8H7F4N
Molecular Weight193.14 g/mol
Exact Mass193.05
IUPAC Name(1S)-2-fluoro-1-(2,3,5-trifluorophenyl)ethanamine
SMILESN[C@H](CF)c1cc(F)cc(F)c1F
InChIInChI=1S/C8H7F4N/c9-3-7(13)5-1-4(10)2-6(11)8(5)12/h1-2,7H,3,13H2/t7-/m1/s1
InChIKeyKPPAPFDUHIUWOT-SSDOTTSWSA-N
XLogP2.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.14
LogP ≤ 52.07
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

1-(2,3,5-trifluorophenyl)propane-1,3-diamine
CID 130900225
(1S)-3,3-difluoro-1-(2,3,5-trifluorophenyl)propan-1-amine
CID 131336328
(1S)-3,3-difluoro-1-(2,3,5-trifluorophenyl)propan-1-amine;hydrochloride
CID 171313036
(1R)-2,2-difluoro-1-(2,3,5-trifluorophenyl)ethanamine
CID 130612107
(1R)-1-(2,3,5-trifluorophenyl)prop-2-en-1-amine
CID 55278217
2-(2,3,5-trifluorophenyl)propan-1-ol
CID 59218730
2-(2,3,5-trifluorophenyl)propan-1-amine
CID 115113253
(1S)-2,2-dimethyl-1-(2,3,5-trifluorophenyl)propan-1-amine
CID 131505705
(1R)-2-fluoro-1-(3,4,5-trifluorophenyl)ethanamine
CID 124707183
(3R)-3-amino-2,2-difluoro-3-(2,3,5-trifluorophenyl)propan-1-ol
CID 131611321
(1R)-1-(2,3-difluorophenyl)-2-fluoroethanamine
CID 130740137
(1R)-2,2-dimethyl-1-(2,3,5-trifluorophenyl)propan-1-amine;hydrochloride
CID 171248131

Frequently Asked Questions

What is the IUPAC name of (1S)-2-fluoro-1-(2,3,5-trifluorophenyl)ethanamine?
The IUPAC name of (1S)-2-fluoro-1-(2,3,5-trifluorophenyl)ethanamine (CID 131081639) is (1S)-2-fluoro-1-(2,3,5-trifluorophenyl)ethanamine.
What is the SMILES notation for (1S)-2-fluoro-1-(2,3,5-trifluorophenyl)ethanamine?
The canonical SMILES for (1S)-2-fluoro-1-(2,3,5-trifluorophenyl)ethanamine is N[C@H](CF)c1cc(F)cc(F)c1F.
What is the InChIKey of (1S)-2-fluoro-1-(2,3,5-trifluorophenyl)ethanamine?
The InChIKey is KPPAPFDUHIUWOT-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H7F4N/c9-3-7(13)5-1-4(10)2-6(11)8(5)12/h1-2,7H,3,13H2/t7-/m1/s1.
What are the key properties of (1S)-2-fluoro-1-(2,3,5-trifluorophenyl)ethanamine?
(1S)-2-fluoro-1-(2,3,5-trifluorophenyl)ethanamine has a molecular weight of 193.14 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-fluoro-1-(2,3,5-trifluorophenyl)ethanamine is sourced from PubChem (CID 131081639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).