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

C9H11F2NO — CID 83442505

IUPAC1-amino-3-(3,5-difluorophenyl)propan-2-ol
SMILESNCC(O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C9H11F2NO/c10-7-1-6(2-8(11)4-7)3-9(13)5-12/h1-2,4,9,13H,3,5,12H2
InChIKeyKKFQKFYVDSQLMU-UHFFFAOYSA-N
MW187.19 g/mol
LogP0.83
Rot. Bonds3

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

1-amino-3-(3,5-difluorophenyl)propan-2-ol (PubChem CID 83442505) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is 1-amino-3-(3,5-difluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(3,5-difluorophenyl)propan-2-ol
PubChem CID83442505
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name1-amino-3-(3,5-difluorophenyl)propan-2-ol
SMILESNCC(O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C9H11F2NO/c10-7-1-6(2-8(11)4-7)3-9(13)5-12/h1-2,4,9,13H,3,5,12H2
InChIKeyKKFQKFYVDSQLMU-UHFFFAOYSA-N
XLogP0.83
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-amino-4-(3,5-difluorophenyl)butan-2-ol
CID 95438340
1-(3,5-difluorophenyl)-4-methylsulfanylbutan-2-ol
CID 105402534
(2R)-2-amino-3-(3,5-difluorophenyl)propan-1-ol
CID 162341885
1-(3,5-difluorophenyl)-5-methoxypentan-2-ol
CID 115601584
2-[(3,5-difluorophenyl)methyl]propane-1,3-diol
CID 105411055
N-[(2S)-4-amino-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide
CID 143116996
1-(3,5-difluorophenyl)-3-methoxy-3-methylbutan-2-ol
CID 105405745
1-amino-3-(3,4,5-trimethoxyphenyl)propan-2-ol
CID 112508543
1-(3,5-difluorophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-ol
CID 79745103
1-(3,5-difluorophenyl)-2-methylpentan-3-ol
CID 105407726
1-amino-3-[4-(dimethylamino)-3-fluorophenyl]propan-2-ol
CID 83442489
1-amino-3-(4-fluoro-3-methoxyphenyl)propan-2-ol
CID 82397890

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3,5-difluorophenyl)propan-2-ol?
The IUPAC name of 1-amino-3-(3,5-difluorophenyl)propan-2-ol (CID 83442505) is 1-amino-3-(3,5-difluorophenyl)propan-2-ol.
What is the SMILES notation for 1-amino-3-(3,5-difluorophenyl)propan-2-ol?
The canonical SMILES for 1-amino-3-(3,5-difluorophenyl)propan-2-ol is NCC(O)Cc1cc(F)cc(F)c1.
What is the InChIKey of 1-amino-3-(3,5-difluorophenyl)propan-2-ol?
The InChIKey is KKFQKFYVDSQLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO/c10-7-1-6(2-8(11)4-7)3-9(13)5-12/h1-2,4,9,13H,3,5,12H2.
What are the key properties of 1-amino-3-(3,5-difluorophenyl)propan-2-ol?
1-amino-3-(3,5-difluorophenyl)propan-2-ol has a molecular weight of 187.19 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3,5-difluorophenyl)propan-2-ol is sourced from PubChem (CID 83442505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).