(1R)-2-fluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine

C9H8F5N — CID 131481827

IUPAC(1R)-2-fluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine
SMILESN[C@@H](CF)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C9H8F5N/c10-4-8(15)5-1-2-7(11)6(3-5)9(12,13)14/h1-3,8H,4,15H2/t8-/m0/s1
InChIKeyAJSMOUUOASIYAO-QMMMGPOBSA-N
MW225.16 g/mol
LogP2.81
Rot. Bonds2

About (1R)-2-fluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine

(1R)-2-fluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 131481827) has the molecular formula C9H8F5N and a molecular weight of 225.16 g/mol. Its IUPAC name is (1R)-2-fluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-2-fluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine
PubChem CID131481827
Molecular FormulaC9H8F5N
Molecular Weight225.16 g/mol
Exact Mass225.06
IUPAC Name(1R)-2-fluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine
SMILESN[C@@H](CF)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C9H8F5N/c10-4-8(15)5-1-2-7(11)6(3-5)9(12,13)14/h1-3,8H,4,15H2/t8-/m0/s1
InChIKeyAJSMOUUOASIYAO-QMMMGPOBSA-N
XLogP2.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.16
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
CID 171222157
1-[4-fluoro-3-(trifluoromethyl)phenyl]butan-1-amine
CID 77277521
(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-amine;hydrochloride
CID 171202601
(1S)-1-[4-fluoro-3-(trifluoromethyl)phenyl]pentane-1,5-diamine;hydrochloride
CID 171222149
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 107289462
3-amino-3-[4-fluoro-3-(trifluoromethyl)phenyl]propanoic acid
CID 79021977
(1S)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylpentan-1-amine;hydrochloride
CID 171222184
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 107291989
(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride
CID 171202599
(1S)-2-cyclopropyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171222160
2-cyclopentyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine
CID 115847288
3-(3,4-difluorophenyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 139022832

Frequently Asked Questions

What is the IUPAC name of (1R)-2-fluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of (1R)-2-fluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine (CID 131481827) is (1R)-2-fluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for (1R)-2-fluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for (1R)-2-fluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine is N[C@@H](CF)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of (1R)-2-fluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is AJSMOUUOASIYAO-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H8F5N/c10-4-8(15)5-1-2-7(11)6(3-5)9(12,13)14/h1-3,8H,4,15H2/t8-/m0/s1.
What are the key properties of (1R)-2-fluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine?
(1R)-2-fluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 225.16 g/mol, XLogP of 2.81, 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-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 131481827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).