(2S,3S)-2-amino-3-fluoro-5-phenylpentan-1-ol

C11H16FNO — CID 10655534

IUPAC(2S,3S)-2-amino-3-fluoro-5-phenylpentan-1-ol
SMILESN[C@@H](CO)[C@@H](F)CCc1ccccc1
InChIInChI=1S/C11H16FNO/c12-10(11(13)8-14)7-6-9-4-2-1-3-5-9/h1-5,10-11,14H,6-8,13H2/t10-,11-/m0/s1
InChIKeyLINHUBCNHIWNDU-QWRGUYRKSA-N
MW197.25 g/mol
LogP1.28
Rot. Bonds5

About (2S,3S)-2-amino-3-fluoro-5-phenylpentan-1-ol

(2S,3S)-2-amino-3-fluoro-5-phenylpentan-1-ol (PubChem CID 10655534) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-fluoro-5-phenylpentan-1-ol.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-fluoro-5-phenylpentan-1-ol
PubChem CID10655534
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name(2S,3S)-2-amino-3-fluoro-5-phenylpentan-1-ol
SMILESN[C@@H](CO)[C@@H](F)CCc1ccccc1
InChIInChI=1S/C11H16FNO/c12-10(11(13)8-14)7-6-9-4-2-1-3-5-9/h1-5,10-11,14H,6-8,13H2/t10-,11-/m0/s1
InChIKeyLINHUBCNHIWNDU-QWRGUYRKSA-N
XLogP1.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-fluoro-5-phenylpentan-1-ol?
The IUPAC name of (2S,3S)-2-amino-3-fluoro-5-phenylpentan-1-ol (CID 10655534) is (2S,3S)-2-amino-3-fluoro-5-phenylpentan-1-ol.
What is the SMILES notation for (2S,3S)-2-amino-3-fluoro-5-phenylpentan-1-ol?
The canonical SMILES for (2S,3S)-2-amino-3-fluoro-5-phenylpentan-1-ol is N[C@@H](CO)[C@@H](F)CCc1ccccc1.
What is the InChIKey of (2S,3S)-2-amino-3-fluoro-5-phenylpentan-1-ol?
The InChIKey is LINHUBCNHIWNDU-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H16FNO/c12-10(11(13)8-14)7-6-9-4-2-1-3-5-9/h1-5,10-11,14H,6-8,13H2/t10-,11-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-fluoro-5-phenylpentan-1-ol?
(2S,3S)-2-amino-3-fluoro-5-phenylpentan-1-ol has a molecular weight of 197.25 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-fluoro-5-phenylpentan-1-ol is sourced from PubChem (CID 10655534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).