(2S)-1-amino-4-(3,5-difluorophenyl)butan-2-ol

C10H13F2NO — CID 95438340

IUPAC(2S)-1-amino-4-(3,5-difluorophenyl)butan-2-ol
SMILESNC[C@@H](O)CCc1cc(F)cc(F)c1
InChIInChI=1S/C10H13F2NO/c11-8-3-7(4-9(12)5-8)1-2-10(14)6-13/h3-5,10,14H,1-2,6,13H2/t10-/m0/s1
InChIKeyGHFIVDNVMMEOJR-JTQLQIEISA-N
MW201.22 g/mol
LogP1.22
Rot. Bonds4

About (2S)-1-amino-4-(3,5-difluorophenyl)butan-2-ol

(2S)-1-amino-4-(3,5-difluorophenyl)butan-2-ol (PubChem CID 95438340) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is (2S)-1-amino-4-(3,5-difluorophenyl)butan-2-ol.

Molecular Properties

Compound Name(2S)-1-amino-4-(3,5-difluorophenyl)butan-2-ol
PubChem CID95438340
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name(2S)-1-amino-4-(3,5-difluorophenyl)butan-2-ol
SMILESNC[C@@H](O)CCc1cc(F)cc(F)c1
InChIInChI=1S/C10H13F2NO/c11-8-3-7(4-9(12)5-8)1-2-10(14)6-13/h3-5,10,14H,1-2,6,13H2/t10-/m0/s1
InChIKeyGHFIVDNVMMEOJR-JTQLQIEISA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-3-(3,5-difluorophenyl)propan-2-ol
CID 83442505
1-amino-4-(3,4-difluorophenyl)butan-2-ol
CID 82282345
6-(3,5-difluorophenyl)hexan-3-ol
CID 105409784
(2S)-1-amino-4-(3-tert-butyl-4-fluorophenyl)butan-2-ol
CID 90210106
1-amino-4-(3,5-dichloro-4-methoxyphenyl)butan-2-ol
CID 83928675
1-amino-4-(4-propylphenyl)butan-2-ol
CID 83921571
1-[3,5-bis(3-hydroxypentyl)phenyl]pentan-3-ol
CID 22239510
1-amino-4-(3-methylphenyl)butan-2-ol
CID 66581739
1-amino-4-(3,5-ditert-butyl-4-methoxyphenyl)butan-2-ol
CID 83938613
1-amino-4-(4-chloro-3-methylphenyl)butan-2-ol
CID 83937420
1-amino-4-(4-bromo-3-methylphenyl)butan-2-ol
CID 83936347
(2R)-4-(3-fluoro-5-methylphenyl)butan-2-amine
CID 131289439

Frequently Asked Questions

What is the IUPAC name of (2S)-1-amino-4-(3,5-difluorophenyl)butan-2-ol?
The IUPAC name of (2S)-1-amino-4-(3,5-difluorophenyl)butan-2-ol (CID 95438340) is (2S)-1-amino-4-(3,5-difluorophenyl)butan-2-ol.
What is the SMILES notation for (2S)-1-amino-4-(3,5-difluorophenyl)butan-2-ol?
The canonical SMILES for (2S)-1-amino-4-(3,5-difluorophenyl)butan-2-ol is NC[C@@H](O)CCc1cc(F)cc(F)c1.
What is the InChIKey of (2S)-1-amino-4-(3,5-difluorophenyl)butan-2-ol?
The InChIKey is GHFIVDNVMMEOJR-JTQLQIEISA-N. The full InChI is InChI=1S/C10H13F2NO/c11-8-3-7(4-9(12)5-8)1-2-10(14)6-13/h3-5,10,14H,1-2,6,13H2/t10-/m0/s1.
What are the key properties of (2S)-1-amino-4-(3,5-difluorophenyl)butan-2-ol?
(2S)-1-amino-4-(3,5-difluorophenyl)butan-2-ol has a molecular weight of 201.22 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-amino-4-(3,5-difluorophenyl)butan-2-ol is sourced from PubChem (CID 95438340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).