(3S)-3-amino-3-(2-fluorophenyl)butan-1-ol

C10H14FNO — CID 70654803

IUPAC(3S)-3-amino-3-(2-fluorophenyl)butan-1-ol
SMILESC[C@](N)(CCO)c1ccccc1F
InChIInChI=1S/C10H14FNO/c1-10(12,6-7-13)8-4-2-3-5-9(8)11/h2-5,13H,6-7,12H2,1H3/t10-/m0/s1
InChIKeyYTAWDEAOEDZBCC-JTQLQIEISA-N
MW183.23 g/mol
LogP1.38
Rot. Bonds3

About (3S)-3-amino-3-(2-fluorophenyl)butan-1-ol

(3S)-3-amino-3-(2-fluorophenyl)butan-1-ol (PubChem CID 70654803) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is (3S)-3-amino-3-(2-fluorophenyl)butan-1-ol.

Molecular Properties

Compound Name(3S)-3-amino-3-(2-fluorophenyl)butan-1-ol
PubChem CID70654803
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name(3S)-3-amino-3-(2-fluorophenyl)butan-1-ol
SMILESC[C@](N)(CCO)c1ccccc1F
InChIInChI=1S/C10H14FNO/c1-10(12,6-7-13)8-4-2-3-5-9(8)11/h2-5,13H,6-7,12H2,1H3/t10-/m0/s1
InChIKeyYTAWDEAOEDZBCC-JTQLQIEISA-N
XLogP1.38
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(2-fluorophenyl)butan-1-ol?
The IUPAC name of (3S)-3-amino-3-(2-fluorophenyl)butan-1-ol (CID 70654803) is (3S)-3-amino-3-(2-fluorophenyl)butan-1-ol.
What is the SMILES notation for (3S)-3-amino-3-(2-fluorophenyl)butan-1-ol?
The canonical SMILES for (3S)-3-amino-3-(2-fluorophenyl)butan-1-ol is C[C@](N)(CCO)c1ccccc1F.
What is the InChIKey of (3S)-3-amino-3-(2-fluorophenyl)butan-1-ol?
The InChIKey is YTAWDEAOEDZBCC-JTQLQIEISA-N. The full InChI is InChI=1S/C10H14FNO/c1-10(12,6-7-13)8-4-2-3-5-9(8)11/h2-5,13H,6-7,12H2,1H3/t10-/m0/s1.
What are the key properties of (3S)-3-amino-3-(2-fluorophenyl)butan-1-ol?
(3S)-3-amino-3-(2-fluorophenyl)butan-1-ol has a molecular weight of 183.23 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-(2-fluorophenyl)butan-1-ol is sourced from PubChem (CID 70654803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).