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

C9H9F4N — CID 97052338

IUPAC(2R)-2-fluoro-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESNC[C@H](F)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H9F4N/c10-8(5-14)6-2-1-3-7(4-6)9(11,12)13/h1-4,8H,5,14H2/t8-/m0/s1
InChIKeyPTSCTJKJPCTLOW-QMMMGPOBSA-N
MW207.17 g/mol
LogP2.67
Rot. Bonds2

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

(2R)-2-fluoro-2-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 97052338) has the molecular formula C9H9F4N and a molecular weight of 207.17 g/mol. Its IUPAC name is (2R)-2-fluoro-2-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name(2R)-2-fluoro-2-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID97052338
Molecular FormulaC9H9F4N
Molecular Weight207.17 g/mol
Exact Mass207.07
IUPAC Name(2R)-2-fluoro-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESNC[C@H](F)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H9F4N/c10-8(5-14)6-2-1-3-7(4-6)9(11,12)13/h1-4,8H,5,14H2/t8-/m0/s1
InChIKeyPTSCTJKJPCTLOW-QMMMGPOBSA-N
XLogP2.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.17
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 20546638
2-amino-1-[3-(trifluoromethyl)phenyl]ethanol
CID 30514
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
(1R)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 170986461
1-amino-4,4-dimethyl-2-[3-(trifluoromethyl)phenyl]pentan-3-ol
CID 65190090
N-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 65384986
(1S,2S)-1-amino-1-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 129052960
(4S)-4-amino-4-[3-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride
CID 171226401
CID 162573398
CID 162573398
3-amino-1-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 138490004
(1S)-2,2,3,3,3-pentafluoro-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 171311708
(S)-[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanamine
CID 170898673

Frequently Asked Questions

What is the IUPAC name of (2R)-2-fluoro-2-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of (2R)-2-fluoro-2-[3-(trifluoromethyl)phenyl]ethanamine (CID 97052338) is (2R)-2-fluoro-2-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for (2R)-2-fluoro-2-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for (2R)-2-fluoro-2-[3-(trifluoromethyl)phenyl]ethanamine is NC[C@H](F)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (2R)-2-fluoro-2-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is PTSCTJKJPCTLOW-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H9F4N/c10-8(5-14)6-2-1-3-7(4-6)9(11,12)13/h1-4,8H,5,14H2/t8-/m0/s1.
What are the key properties of (2R)-2-fluoro-2-[3-(trifluoromethyl)phenyl]ethanamine?
(2R)-2-fluoro-2-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 207.17 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-fluoro-2-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 97052338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).