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

C10H13F2NO — CID 82282345

IUPAC1-amino-4-(3,4-difluorophenyl)butan-2-ol
SMILESNCC(O)CCc1ccc(F)c(F)c1
InChIInChI=1S/C10H13F2NO/c11-9-4-2-7(5-10(9)12)1-3-8(14)6-13/h2,4-5,8,14H,1,3,6,13H2
InChIKeySTBQLKZSJGRICY-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.22
Rot. Bonds4

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

1-amino-4-(3,4-difluorophenyl)butan-2-ol (PubChem CID 82282345) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-amino-4-(3,4-difluorophenyl)butan-2-ol.

Molecular Properties

Compound Name1-amino-4-(3,4-difluorophenyl)butan-2-ol
PubChem CID82282345
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name1-amino-4-(3,4-difluorophenyl)butan-2-ol
SMILESNCC(O)CCc1ccc(F)c(F)c1
InChIInChI=1S/C10H13F2NO/c11-9-4-2-7(5-10(9)12)1-3-8(14)6-13/h2,4-5,8,14H,1,3,6,13H2
InChIKeySTBQLKZSJGRICY-UHFFFAOYSA-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

(2S)-1-amino-4-(3-tert-butyl-4-fluorophenyl)butan-2-ol
CID 90210106
(2S)-1-amino-4-(3,5-difluorophenyl)butan-2-ol
CID 95438340
2-(3,4-difluorophenyl)ethanamine;hydrochloride
CID 66523804
4-(3,4-difluorophenyl)butan-2-amine;hydrochloride
CID 50988115
1-(3,4-difluorophenyl)-4-pyridin-4-ylbutan-2-ol
CID 105121810
1-amino-4-(4-propylphenyl)butan-2-ol
CID 83921571
1-amino-4-(4-chloro-3-methylphenyl)butan-2-ol
CID 83937420
1-amino-4-(4-bromo-3-methylphenyl)butan-2-ol
CID 83936347
1-amino-4-(3-methylphenyl)butan-2-ol
CID 66581739
1-(4-fluoro-3-methylphenyl)pentan-3-ol
CID 64515114
(2S)-2-fluoro-4-(4-fluoro-3-methylphenyl)butan-1-amine
CID 90212776
2-(aminomethyl)-6-(3,4-difluorophenyl)-4-ethylhexanoic acid
CID 69269319

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(3,4-difluorophenyl)butan-2-ol?
The IUPAC name of 1-amino-4-(3,4-difluorophenyl)butan-2-ol (CID 82282345) is 1-amino-4-(3,4-difluorophenyl)butan-2-ol.
What is the SMILES notation for 1-amino-4-(3,4-difluorophenyl)butan-2-ol?
The canonical SMILES for 1-amino-4-(3,4-difluorophenyl)butan-2-ol is NCC(O)CCc1ccc(F)c(F)c1.
What is the InChIKey of 1-amino-4-(3,4-difluorophenyl)butan-2-ol?
The InChIKey is STBQLKZSJGRICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c11-9-4-2-7(5-10(9)12)1-3-8(14)6-13/h2,4-5,8,14H,1,3,6,13H2.
What are the key properties of 1-amino-4-(3,4-difluorophenyl)butan-2-ol?
1-amino-4-(3,4-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 1-amino-4-(3,4-difluorophenyl)butan-2-ol is sourced from PubChem (CID 82282345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).