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

C9H8F5N — CID 131361853

IUPAC(1S)-2-fluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine
SMILESN[C@H](CF)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C9H8F5N/c10-4-8(15)6-2-1-5(11)3-7(6)9(12,13)14/h1-3,8H,4,15H2/t8-/m1/s1
InChIKeyWLQROFYHBTZYSI-MRVPVSSYSA-N
MW225.16 g/mol
LogP2.81
Rot. Bonds2

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

(1S)-2-fluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine (PubChem CID 131361853) has the molecular formula C9H8F5N and a molecular weight of 225.16 g/mol. Its IUPAC name is (1S)-2-fluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-2-fluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine
PubChem CID131361853
Molecular FormulaC9H8F5N
Molecular Weight225.16 g/mol
Exact Mass225.06
IUPAC Name(1S)-2-fluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine
SMILESN[C@H](CF)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C9H8F5N/c10-4-8(15)6-2-1-5(11)3-7(6)9(12,13)14/h1-3,8H,4,15H2/t8-/m1/s1
InChIKeyWLQROFYHBTZYSI-MRVPVSSYSA-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)-4,4,4-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine
CID 171228633
(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine
CID 79021125
(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 171209037
(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine
CID 79021753
3-amino-3-[4-fluoro-2-(trifluoromethyl)phenyl]propanoic acid
CID 79021947
(3S)-3-amino-3-[4-fluoro-2-(trifluoromethyl)phenyl]propanoic acid
CID 79015985
(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-4-methylpentan-1-amine;hydrochloride
CID 171209069
(1R)-2,2,2-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171242667
(1S)-1-[2,4-bis(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride
CID 171210217
(1R)-2-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanol
CID 129381916
1-(difluoromethyl)-4-fluoro-2-(trifluoromethyl)benzene
CID 46311777
2-amino-2-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide
CID 68716892

Frequently Asked Questions

What is the IUPAC name of (1S)-2-fluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of (1S)-2-fluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine (CID 131361853) is (1S)-2-fluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for (1S)-2-fluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for (1S)-2-fluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine is N[C@H](CF)c1ccc(F)cc1C(F)(F)F.
What is the InChIKey of (1S)-2-fluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is WLQROFYHBTZYSI-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H8F5N/c10-4-8(15)6-2-1-5(11)3-7(6)9(12,13)14/h1-3,8H,4,15H2/t8-/m1/s1.
What are the key properties of (1S)-2-fluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine?
(1S)-2-fluoro-1-[4-fluoro-2-(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 (1S)-2-fluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 131361853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).