(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-en-1-amine

C10H9F4NO — CID 171216225

IUPAC(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-en-1-amine
SMILESC=C[C@@H](N)c1cc(OC(F)(F)F)ccc1F
InChIInChI=1S/C10H9F4NO/c1-2-9(15)7-5-6(3-4-8(7)11)16-10(12,13)14/h2-5,9H,1,15H2/t9-/m1/s1
InChIKeyGQYBXZYOLBUMPW-SECBINFHSA-N
MW235.18 g/mol
LogP2.91
Rot. Bonds3

About (1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-en-1-amine

(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-en-1-amine (PubChem CID 171216225) has the molecular formula C10H9F4NO and a molecular weight of 235.18 g/mol. Its IUPAC name is (1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-en-1-amine
PubChem CID171216225
Molecular FormulaC10H9F4NO
Molecular Weight235.18 g/mol
Exact Mass235.06
IUPAC Name(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-en-1-amine
SMILESC=C[C@@H](N)c1cc(OC(F)(F)F)ccc1F
InChIInChI=1S/C10H9F4NO/c1-2-9(15)7-5-6(3-4-8(7)11)16-10(12,13)14/h2-5,9H,1,15H2/t9-/m1/s1
InChIKeyGQYBXZYOLBUMPW-SECBINFHSA-N
XLogP2.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.18
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]but-3-en-1-amine;hydrochloride
CID 171216230
(1S)-2,2,2-trifluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine
CID 171251766
(1S)-2,2-difluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171251769
(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propane-1,3-diamine
CID 171216217
(1R)-3,3,3-trifluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-1-amine
CID 171216239
(1R)-2,2,3,3,3-pentafluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride
CID 171312744
(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171251779
(1R)-1-(2,5-difluorophenyl)prop-2-en-1-amine
CID 55278051
1-(2,5-difluorophenyl)prop-2-en-1-amine
CID 55282989
(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]butan-1-amine
CID 171235861
(2R,3R)-3-amino-1,1,1-trifluoro-3-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-2-ol;hydrochloride
CID 171266107
(1S,2R)-1-amino-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-2-ol;hydrochloride
CID 171271754

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-en-1-amine?
The IUPAC name of (1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-en-1-amine (CID 171216225) is (1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-en-1-amine.
What is the SMILES notation for (1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-en-1-amine?
The canonical SMILES for (1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-en-1-amine is C=C[C@@H](N)c1cc(OC(F)(F)F)ccc1F.
What is the InChIKey of (1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-en-1-amine?
The InChIKey is GQYBXZYOLBUMPW-SECBINFHSA-N. The full InChI is InChI=1S/C10H9F4NO/c1-2-9(15)7-5-6(3-4-8(7)11)16-10(12,13)14/h2-5,9H,1,15H2/t9-/m1/s1.
What are the key properties of (1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-en-1-amine?
(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-en-1-amine has a molecular weight of 235.18 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-en-1-amine is sourced from PubChem (CID 171216225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).