(2S,3R)-3-amino-1,1-difluoro-4-phenylbutan-2-ol

C10H13F2NO — CID 97184226

IUPAC(2S,3R)-3-amino-1,1-difluoro-4-phenylbutan-2-ol
SMILESN[C@H](Cc1ccccc1)[C@H](O)C(F)F
InChIInChI=1S/C10H13F2NO/c11-10(12)9(14)8(13)6-7-4-2-1-3-5-7/h1-5,8-10,14H,6,13H2/t8-,9+/m1/s1
InChIKeyPTEMBSJXQINEPT-BDAKNGLRSA-N
MW201.22 g/mol
LogP1.18
Rot. Bonds4

About (2S,3R)-3-amino-1,1-difluoro-4-phenylbutan-2-ol

(2S,3R)-3-amino-1,1-difluoro-4-phenylbutan-2-ol (PubChem CID 97184226) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is (2S,3R)-3-amino-1,1-difluoro-4-phenylbutan-2-ol.

Molecular Properties

Compound Name(2S,3R)-3-amino-1,1-difluoro-4-phenylbutan-2-ol
PubChem CID97184226
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name(2S,3R)-3-amino-1,1-difluoro-4-phenylbutan-2-ol
SMILESN[C@H](Cc1ccccc1)[C@H](O)C(F)F
InChIInChI=1S/C10H13F2NO/c11-10(12)9(14)8(13)6-7-4-2-1-3-5-7/h1-5,8-10,14H,6,13H2/t8-,9+/m1/s1
InChIKeyPTEMBSJXQINEPT-BDAKNGLRSA-N
XLogP1.18
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S,4S,5S)-2,5-diamino-1,6-diphenylhexane-3,4-diol;bis(2,2,2-trifluoroacetic acid)
CID 24799463
(2R,3R)-3-amino-1,1,1-trifluoro-4-phenylbutan-2-ol
CID 28820182
(2S,3R,4S)-2-amino-6-methyl-1-phenylheptane-3,4-diol
CID 10585964
1,1-difluoro-3-phenylpropan-2-ol
CID 15085378
(2S,3R)-3-amino-4-phenylbutane-1,2-diol
CID 11789833
(1R)-1-fluoro-2-phenylethanol
CID 163366132
(2S,3S,5R)-2,5-diamino-1,6-diphenylhexan-3-ol
CID 22885973
(2S,3S)-3-amino-4-phenylbutane-1,2-diol;hydrochloride
CID 139714865
(2R,3R)-3-amino-1-chloro-4-phenylbutan-2-ol
CID 89399982
(4R)-4-amino-5-phenylpent-1-yn-3-ol
CID 164658344
(2S,3S)-3-amino-2-hydroxy-4-phenylbutanamide
CID 57194593
(2S,3R)-2-amino-4,4-dimethyl-1-phenylpentan-3-ol
CID 101132105

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-amino-1,1-difluoro-4-phenylbutan-2-ol?
The IUPAC name of (2S,3R)-3-amino-1,1-difluoro-4-phenylbutan-2-ol (CID 97184226) is (2S,3R)-3-amino-1,1-difluoro-4-phenylbutan-2-ol.
What is the SMILES notation for (2S,3R)-3-amino-1,1-difluoro-4-phenylbutan-2-ol?
The canonical SMILES for (2S,3R)-3-amino-1,1-difluoro-4-phenylbutan-2-ol is N[C@H](Cc1ccccc1)[C@H](O)C(F)F.
What is the InChIKey of (2S,3R)-3-amino-1,1-difluoro-4-phenylbutan-2-ol?
The InChIKey is PTEMBSJXQINEPT-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H13F2NO/c11-10(12)9(14)8(13)6-7-4-2-1-3-5-7/h1-5,8-10,14H,6,13H2/t8-,9+/m1/s1.
What are the key properties of (2S,3R)-3-amino-1,1-difluoro-4-phenylbutan-2-ol?
(2S,3R)-3-amino-1,1-difluoro-4-phenylbutan-2-ol has a molecular weight of 201.22 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-amino-1,1-difluoro-4-phenylbutan-2-ol is sourced from PubChem (CID 97184226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).