(1R)-2-fluoro-1-(3,4,5-trifluorophenyl)ethanamine

C8H7F4N — CID 124707183

IUPAC(1R)-2-fluoro-1-(3,4,5-trifluorophenyl)ethanamine
SMILESN[C@@H](CF)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C8H7F4N/c9-3-7(13)4-1-5(10)8(12)6(11)2-4/h1-2,7H,3,13H2/t7-/m0/s1
InChIKeyOTXNYWJTZMKQHD-ZETCQYMHSA-N
MW193.14 g/mol
LogP2.07
Rot. Bonds2

About (1R)-2-fluoro-1-(3,4,5-trifluorophenyl)ethanamine

(1R)-2-fluoro-1-(3,4,5-trifluorophenyl)ethanamine (PubChem CID 124707183) has the molecular formula C8H7F4N and a molecular weight of 193.14 g/mol. Its IUPAC name is (1R)-2-fluoro-1-(3,4,5-trifluorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-2-fluoro-1-(3,4,5-trifluorophenyl)ethanamine
PubChem CID124707183
Molecular FormulaC8H7F4N
Molecular Weight193.14 g/mol
Exact Mass193.05
IUPAC Name(1R)-2-fluoro-1-(3,4,5-trifluorophenyl)ethanamine
SMILESN[C@@H](CF)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C8H7F4N/c9-3-7(13)4-1-5(10)8(12)6(11)2-4/h1-2,7H,3,13H2/t7-/m0/s1
InChIKeyOTXNYWJTZMKQHD-ZETCQYMHSA-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_2', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(3,4,5-trifluorophenyl)propan-1-amine
CID 55255857
1-(3,4,5-trifluorophenyl)ethane-1,2-diamine;dihydrochloride
CID 71758657
(2R)-2-amino-2-(3,4,5-trifluorophenyl)ethanol;hydrochloride
CID 171225420
(1S)-1-(3,4,5-trifluorophenyl)butane-1,4-diamine;hydrochloride
CID 171225390
(1S)-4-methyl-1-(3,4,5-trifluorophenyl)pentan-1-amine
CID 171225417
(1S)-3-methyl-1-(3,4,5-trifluorophenyl)butan-1-amine;hydrochloride
CID 171225399
3-amino-3-(3,4,5-trifluorophenyl)propanamide
CID 63052709
(1R)-1-(3,4,5-trifluorophenyl)hexan-1-amine;hydrochloride
CID 171205823
1-(3,4,5-trifluorophenyl)pent-4-yn-1-amine
CID 63657908
1-(3,4,5-trifluorophenyl)nonan-1-amine
CID 63417456
(1R)-1-(3,4,5-trifluorophenyl)pent-4-en-1-amine;hydrochloride
CID 171205839
(1S)-1-(3,5-dichlorophenyl)-2-fluoroethanamine
CID 124707721

Frequently Asked Questions

What is the IUPAC name of (1R)-2-fluoro-1-(3,4,5-trifluorophenyl)ethanamine?
The IUPAC name of (1R)-2-fluoro-1-(3,4,5-trifluorophenyl)ethanamine (CID 124707183) is (1R)-2-fluoro-1-(3,4,5-trifluorophenyl)ethanamine.
What is the SMILES notation for (1R)-2-fluoro-1-(3,4,5-trifluorophenyl)ethanamine?
The canonical SMILES for (1R)-2-fluoro-1-(3,4,5-trifluorophenyl)ethanamine is N[C@@H](CF)c1cc(F)c(F)c(F)c1.
What is the InChIKey of (1R)-2-fluoro-1-(3,4,5-trifluorophenyl)ethanamine?
The InChIKey is OTXNYWJTZMKQHD-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H7F4N/c9-3-7(13)4-1-5(10)8(12)6(11)2-4/h1-2,7H,3,13H2/t7-/m0/s1.
What are the key properties of (1R)-2-fluoro-1-(3,4,5-trifluorophenyl)ethanamine?
(1R)-2-fluoro-1-(3,4,5-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 (1R)-2-fluoro-1-(3,4,5-trifluorophenyl)ethanamine is sourced from PubChem (CID 124707183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).