(2S,3S)-3-amino-2,4-difluoro-3-(2-fluorophenyl)butan-1-ol

C10H12F3NO — CID 70815310

IUPAC(2S,3S)-3-amino-2,4-difluoro-3-(2-fluorophenyl)butan-1-ol
SMILESN[C@](CF)(c1ccccc1F)[C@H](F)CO
InChIInChI=1S/C10H12F3NO/c11-6-10(14,9(13)5-15)7-3-1-2-4-8(7)12/h1-4,9,15H,5-6,14H2/t9-,10-/m1/s1
InChIKeyRDAZRMCKGYTKEI-NXEZZACHSA-N
MW219.21 g/mol
LogP1.28
Rot. Bonds4

About (2S,3S)-3-amino-2,4-difluoro-3-(2-fluorophenyl)butan-1-ol

(2S,3S)-3-amino-2,4-difluoro-3-(2-fluorophenyl)butan-1-ol (PubChem CID 70815310) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is (2S,3S)-3-amino-2,4-difluoro-3-(2-fluorophenyl)butan-1-ol.

Molecular Properties

Compound Name(2S,3S)-3-amino-2,4-difluoro-3-(2-fluorophenyl)butan-1-ol
PubChem CID70815310
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name(2S,3S)-3-amino-2,4-difluoro-3-(2-fluorophenyl)butan-1-ol
SMILESN[C@](CF)(c1ccccc1F)[C@H](F)CO
InChIInChI=1S/C10H12F3NO/c11-6-10(14,9(13)5-15)7-3-1-2-4-8(7)12/h1-4,9,15H,5-6,14H2/t9-,10-/m1/s1
InChIKeyRDAZRMCKGYTKEI-NXEZZACHSA-N
XLogP1.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
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)-3-amino-2,4-difluoro-3-(2-fluorophenyl)butan-1-ol?
The IUPAC name of (2S,3S)-3-amino-2,4-difluoro-3-(2-fluorophenyl)butan-1-ol (CID 70815310) is (2S,3S)-3-amino-2,4-difluoro-3-(2-fluorophenyl)butan-1-ol.
What is the SMILES notation for (2S,3S)-3-amino-2,4-difluoro-3-(2-fluorophenyl)butan-1-ol?
The canonical SMILES for (2S,3S)-3-amino-2,4-difluoro-3-(2-fluorophenyl)butan-1-ol is N[C@](CF)(c1ccccc1F)[C@H](F)CO.
What is the InChIKey of (2S,3S)-3-amino-2,4-difluoro-3-(2-fluorophenyl)butan-1-ol?
The InChIKey is RDAZRMCKGYTKEI-NXEZZACHSA-N. The full InChI is InChI=1S/C10H12F3NO/c11-6-10(14,9(13)5-15)7-3-1-2-4-8(7)12/h1-4,9,15H,5-6,14H2/t9-,10-/m1/s1.
What are the key properties of (2S,3S)-3-amino-2,4-difluoro-3-(2-fluorophenyl)butan-1-ol?
(2S,3S)-3-amino-2,4-difluoro-3-(2-fluorophenyl)butan-1-ol has a molecular weight of 219.21 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-amino-2,4-difluoro-3-(2-fluorophenyl)butan-1-ol is sourced from PubChem (CID 70815310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).