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

C10H13F2NO — CID 130150345

IUPAC1-amino-1-(3,5-difluorophenyl)butan-2-ol
SMILESCCC(O)C(N)c1cc(F)cc(F)c1
InChIInChI=1S/C10H13F2NO/c1-2-9(14)10(13)6-3-7(11)5-8(12)4-6/h3-5,9-10,14H,2,13H2,1H3
InChIKeyYEZYHBGSKKSTLK-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.74
Rot. Bonds3

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

1-amino-1-(3,5-difluorophenyl)butan-2-ol (PubChem CID 130150345) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-amino-1-(3,5-difluorophenyl)butan-2-ol.

Molecular Properties

Compound Name1-amino-1-(3,5-difluorophenyl)butan-2-ol
PubChem CID130150345
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name1-amino-1-(3,5-difluorophenyl)butan-2-ol
SMILESCCC(O)C(N)c1cc(F)cc(F)c1
InChIInChI=1S/C10H13F2NO/c1-2-9(14)10(13)6-3-7(11)5-8(12)4-6/h3-5,9-10,14H,2,13H2,1H3
InChIKeyYEZYHBGSKKSTLK-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-1-amino-1-(3-fluorophenyl)butan-2-ol
CID 131021466
(1R,2S)-1-amino-1-(3,5-difluorophenyl)-3-phenylpropan-2-ol
CID 171262338
5-[(1R,2S)-1-amino-2-hydroxybutyl]benzene-1,3-diol;hydrochloride
CID 171261128
(1R,2S)-1-amino-1-(3,5-difluorophenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171262339
(1R,2R)-1,2-bis(3,5-difluorophenyl)ethane-1,2-diamine
CID 58298555
4-[(1R,2S)-1-amino-2-hydroxybutyl]-2-fluorophenol
CID 131131076
(1S,2R)-1-amino-1-(3-chloro-5-fluorophenyl)-3-methylpentan-2-ol
CID 171268040
(1R,2S)-1-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]butan-2-ol
CID 171159873
(1R,2S)-1-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]butan-2-ol;hydrochloride
CID 171159874
(1S,2R)-1-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-methylpentan-2-ol
CID 171268942
(1S,2R)-1-amino-1-(2-chloro-4-fluorophenyl)butan-2-ol
CID 131038068
1-(3,5-difluorophenyl)-2-methylpentan-3-ol
CID 105407726

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(3,5-difluorophenyl)butan-2-ol?
The IUPAC name of 1-amino-1-(3,5-difluorophenyl)butan-2-ol (CID 130150345) is 1-amino-1-(3,5-difluorophenyl)butan-2-ol.
What is the SMILES notation for 1-amino-1-(3,5-difluorophenyl)butan-2-ol?
The canonical SMILES for 1-amino-1-(3,5-difluorophenyl)butan-2-ol is CCC(O)C(N)c1cc(F)cc(F)c1.
What is the InChIKey of 1-amino-1-(3,5-difluorophenyl)butan-2-ol?
The InChIKey is YEZYHBGSKKSTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-2-9(14)10(13)6-3-7(11)5-8(12)4-6/h3-5,9-10,14H,2,13H2,1H3.
What are the key properties of 1-amino-1-(3,5-difluorophenyl)butan-2-ol?
1-amino-1-(3,5-difluorophenyl)butan-2-ol has a molecular weight of 201.22 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(3,5-difluorophenyl)butan-2-ol is sourced from PubChem (CID 130150345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).