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

C10H13F2NO — CID 83908387

IUPAC2-amino-3-(2,4-difluorophenyl)butan-1-ol
SMILESCC(c1ccc(F)cc1F)C(N)CO
InChIInChI=1S/C10H13F2NO/c1-6(10(13)5-14)8-3-2-7(11)4-9(8)12/h2-4,6,10,14H,5,13H2,1H3
InChIKeyZSVOEGMFPWEREU-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.39
Rot. Bonds3

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

2-amino-3-(2,4-difluorophenyl)butan-1-ol (PubChem CID 83908387) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-amino-3-(2,4-difluorophenyl)butan-1-ol.

Molecular Properties

Compound Name2-amino-3-(2,4-difluorophenyl)butan-1-ol
PubChem CID83908387
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-amino-3-(2,4-difluorophenyl)butan-1-ol
SMILESCC(c1ccc(F)cc1F)C(N)CO
InChIInChI=1S/C10H13F2NO/c1-6(10(13)5-14)8-3-2-7(11)4-9(8)12/h2-4,6,10,14H,5,13H2,1H3
InChIKeyZSVOEGMFPWEREU-UHFFFAOYSA-N
XLogP1.39
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-difluoro-1-[(2R)-3-methylbutan-2-yl]benzene
CID 121459140
(2R)-2-amino-2-(2,4-difluorophenyl)ethanol;hydrochloride
CID 67034313
1-(2,4-difluorophenyl)propane-1,2-diamine
CID 20546527
(2,4-difluorophenyl)methanediamine
CID 116939170
3-(2,4-difluorophenyl)-2-methylbutanoic acid
CID 79729834
(1S)-1-(2,4-difluorophenyl)-4-methylpentan-1-amine
CID 28780270
1-(2,4-difluorophenyl)-2-methylbutane-1,4-diamine
CID 116934030
(1S,2R)-1-amino-1-(2,4-difluorophenyl)-5-methylhexan-2-ol
CID 171266705
1-(2,4-difluorophenyl)-3-methylbutan-1-ol
CID 61087910
(3S)-3-amino-3-(2,4-difluorophenyl)propan-1-ol;hydrochloride
CID 126963755
2-(2-chloro-4-fluorophenyl)pentan-3-amine
CID 79308367
(1S)-1-(2,4-difluorophenyl)-2,2-difluoroethanamine
CID 28973274

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,4-difluorophenyl)butan-1-ol?
The IUPAC name of 2-amino-3-(2,4-difluorophenyl)butan-1-ol (CID 83908387) is 2-amino-3-(2,4-difluorophenyl)butan-1-ol.
What is the SMILES notation for 2-amino-3-(2,4-difluorophenyl)butan-1-ol?
The canonical SMILES for 2-amino-3-(2,4-difluorophenyl)butan-1-ol is CC(c1ccc(F)cc1F)C(N)CO.
What is the InChIKey of 2-amino-3-(2,4-difluorophenyl)butan-1-ol?
The InChIKey is ZSVOEGMFPWEREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-6(10(13)5-14)8-3-2-7(11)4-9(8)12/h2-4,6,10,14H,5,13H2,1H3.
What are the key properties of 2-amino-3-(2,4-difluorophenyl)butan-1-ol?
2-amino-3-(2,4-difluorophenyl)butan-1-ol has a molecular weight of 201.22 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,4-difluorophenyl)butan-1-ol is sourced from PubChem (CID 83908387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).