(1R,2S)-1-amino-1-(2-fluorophenyl)butan-2-ol;hydrochloride

C10H15ClFNO — CID 171160706

IUPAC(1R,2S)-1-amino-1-(2-fluorophenyl)butan-2-ol;hydrochloride
SMILESCC[C@H](O)[C@H](N)c1ccccc1F.Cl
InChIInChI=1S/C10H14FNO.ClH/c1-2-9(13)10(12)7-5-3-4-6-8(7)11;/h3-6,9-10,13H,2,12H2,1H3;1H/t9-,10+;/m0./s1
InChIKeyPYBPGBCJIXSWKI-BAUSSPIASA-N
MW219.69 g/mol
LogP2.02
Rot. Bonds3

About (1R,2S)-1-amino-1-(2-fluorophenyl)butan-2-ol;hydrochloride

(1R,2S)-1-amino-1-(2-fluorophenyl)butan-2-ol;hydrochloride (PubChem CID 171160706) has the molecular formula C10H15ClFNO and a molecular weight of 219.69 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(2-fluorophenyl)butan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(2-fluorophenyl)butan-2-ol;hydrochloride
PubChem CID171160706
Molecular FormulaC10H15ClFNO
Molecular Weight219.69 g/mol
Exact Mass219.08
IUPAC Name(1R,2S)-1-amino-1-(2-fluorophenyl)butan-2-ol;hydrochloride
SMILESCC[C@H](O)[C@H](N)c1ccccc1F.Cl
InChIInChI=1S/C10H14FNO.ClH/c1-2-9(13)10(12)7-5-3-4-6-8(7)11;/h3-6,9-10,13H,2,12H2,1H3;1H/t9-,10+;/m0./s1
InChIKeyPYBPGBCJIXSWKI-BAUSSPIASA-N
XLogP2.02
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.69
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-1-amino-1-(3-fluoro-2-methoxyphenyl)butan-2-ol;hydrochloride
CID 171261502
(1S,2R)-1-amino-1-(2-iodophenyl)butan-2-ol;hydrochloride
CID 171269904
(1R,2S)-1-amino-1-(2-fluorophenyl)-3-methylbutan-2-ol;hydrochloride
CID 171160711
(1S,2R)-1-amino-1-(2-fluoro-4-methylphenyl)butan-2-ol
CID 130683149
(1S,2R)-1-amino-1-(2,3,4-trifluorophenyl)butan-2-ol
CID 131568050
(1R,2S)-1-amino-1-naphthalen-1-ylbutan-2-ol
CID 171161126
(1R,2S)-1-amino-1-(2-methoxyphenyl)butan-2-ol
CID 96622527
1-(2-fluorophenyl)propan-1-amine
CID 18439474
(1R,2S)-1-amino-1-(3-bromo-2-fluorophenyl)butan-2-ol
CID 130785366
2-[(1R,2S)-1-amino-2-hydroxybutyl]benzonitrile;hydrochloride
CID 171261638
(1R,2S)-1-amino-1-[2-(difluoromethoxy)phenyl]butan-2-ol
CID 171264497
2-[(1R,2S)-1-amino-2-hydroxypentyl]-6-fluorophenol;hydrochloride
CID 171260986

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(2-fluorophenyl)butan-2-ol;hydrochloride?
The IUPAC name of (1R,2S)-1-amino-1-(2-fluorophenyl)butan-2-ol;hydrochloride (CID 171160706) is (1R,2S)-1-amino-1-(2-fluorophenyl)butan-2-ol;hydrochloride.
What is the SMILES notation for (1R,2S)-1-amino-1-(2-fluorophenyl)butan-2-ol;hydrochloride?
The canonical SMILES for (1R,2S)-1-amino-1-(2-fluorophenyl)butan-2-ol;hydrochloride is CC[C@H](O)[C@H](N)c1ccccc1F.Cl.
What is the InChIKey of (1R,2S)-1-amino-1-(2-fluorophenyl)butan-2-ol;hydrochloride?
The InChIKey is PYBPGBCJIXSWKI-BAUSSPIASA-N. The full InChI is InChI=1S/C10H14FNO.ClH/c1-2-9(13)10(12)7-5-3-4-6-8(7)11;/h3-6,9-10,13H,2,12H2,1H3;1H/t9-,10+;/m0./s1.
What are the key properties of (1R,2S)-1-amino-1-(2-fluorophenyl)butan-2-ol;hydrochloride?
(1R,2S)-1-amino-1-(2-fluorophenyl)butan-2-ol;hydrochloride has a molecular weight of 219.69 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-1-(2-fluorophenyl)butan-2-ol;hydrochloride is sourced from PubChem (CID 171160706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).