2-amino-1-[3-fluoro-2-(fluoromethyl)phenyl]propan-1-ol

C10H13F2NO — CID 84669941

IUPAC2-amino-1-[3-fluoro-2-(fluoromethyl)phenyl]propan-1-ol
SMILESCC(N)C(O)c1cccc(F)c1CF
InChIInChI=1S/C10H13F2NO/c1-6(13)10(14)7-3-2-4-9(12)8(7)5-11/h2-4,6,10,14H,5,13H2,1H3
InChIKeyINLVNQSVPWGJEU-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.68
Rot. Bonds3

About 2-amino-1-[3-fluoro-2-(fluoromethyl)phenyl]propan-1-ol

2-amino-1-[3-fluoro-2-(fluoromethyl)phenyl]propan-1-ol (PubChem CID 84669941) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-amino-1-[3-fluoro-2-(fluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-amino-1-[3-fluoro-2-(fluoromethyl)phenyl]propan-1-ol
PubChem CID84669941
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-amino-1-[3-fluoro-2-(fluoromethyl)phenyl]propan-1-ol
SMILESCC(N)C(O)c1cccc(F)c1CF
InChIInChI=1S/C10H13F2NO/c1-6(13)10(14)7-3-2-4-9(12)8(7)5-11/h2-4,6,10,14H,5,13H2,1H3
InChIKeyINLVNQSVPWGJEU-UHFFFAOYSA-N
XLogP1.68
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(2,3-difluorophenyl)propan-1-ol
CID 63669406
(1R,2R)-2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-ol
CID 96760175
(1R,2S)-2-amino-1-(2,6-difluorophenyl)propan-1-ol
CID 28743561
3-[3-fluoro-2-(fluoromethyl)phenyl]butanoic acid
CID 84680186
(1R,2S)-1-amino-1-(2-ethyl-3-fluorophenyl)propan-2-ol
CID 55270630
(1R,2S)-1-amino-1-[3-fluoro-2-(hydroxymethyl)phenyl]propan-2-ol
CID 130657386
2-amino-1-[2-(aminomethyl)phenyl]propan-1-ol
CID 174502145
1-amino-1-(2,3-difluorophenyl)propan-2-ol
CID 55273515
(1S)-1-(2-fluorophenyl)ethanamine;hydrochloride
CID 45072320
1-(2,6-difluorophenyl)butane-2,3-diol
CID 103452859
1-amino-1-(2-amino-3-fluorophenyl)propan-2-ol
CID 55293130
(1R,2R)-2-amino-1-(2-chloro-3-methylphenyl)propan-1-ol
CID 130826820

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-fluoro-2-(fluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 2-amino-1-[3-fluoro-2-(fluoromethyl)phenyl]propan-1-ol (CID 84669941) is 2-amino-1-[3-fluoro-2-(fluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 2-amino-1-[3-fluoro-2-(fluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 2-amino-1-[3-fluoro-2-(fluoromethyl)phenyl]propan-1-ol is CC(N)C(O)c1cccc(F)c1CF.
What is the InChIKey of 2-amino-1-[3-fluoro-2-(fluoromethyl)phenyl]propan-1-ol?
The InChIKey is INLVNQSVPWGJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-6(13)10(14)7-3-2-4-9(12)8(7)5-11/h2-4,6,10,14H,5,13H2,1H3.
What are the key properties of 2-amino-1-[3-fluoro-2-(fluoromethyl)phenyl]propan-1-ol?
2-amino-1-[3-fluoro-2-(fluoromethyl)phenyl]propan-1-ol has a molecular weight of 201.22 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-fluoro-2-(fluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 84669941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).