3-amino-4-(3,5-difluorophenoxy)-1-fluorobutan-2-ol

C10H12F3NO2 — CID 68631534

IUPAC3-amino-4-(3,5-difluorophenoxy)-1-fluorobutan-2-ol
SMILESNC(COc1cc(F)cc(F)c1)C(O)CF
InChIInChI=1S/C10H12F3NO2/c11-4-10(15)9(14)5-16-8-2-6(12)1-7(13)3-8/h1-3,9-10,15H,4-5,14H2
InChIKeyDGKPLTQLLPXOLA-UHFFFAOYSA-N
MW235.20 g/mol
LogP1.00
Rot. Bonds5

About 3-amino-4-(3,5-difluorophenoxy)-1-fluorobutan-2-ol

3-amino-4-(3,5-difluorophenoxy)-1-fluorobutan-2-ol (PubChem CID 68631534) has the molecular formula C10H12F3NO2 and a molecular weight of 235.20 g/mol. Its IUPAC name is 3-amino-4-(3,5-difluorophenoxy)-1-fluorobutan-2-ol.

Molecular Properties

Compound Name3-amino-4-(3,5-difluorophenoxy)-1-fluorobutan-2-ol
PubChem CID68631534
Molecular FormulaC10H12F3NO2
Molecular Weight235.20 g/mol
Exact Mass235.08
IUPAC Name3-amino-4-(3,5-difluorophenoxy)-1-fluorobutan-2-ol
SMILESNC(COc1cc(F)cc(F)c1)C(O)CF
InChIInChI=1S/C10H12F3NO2/c11-4-10(15)9(14)5-16-8-2-6(12)1-7(13)3-8/h1-3,9-10,15H,4-5,14H2
InChIKeyDGKPLTQLLPXOLA-UHFFFAOYSA-N
XLogP1.00
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-difluorophenoxy)propan-2-ol
CID 62784687
1-bromo-3-(3,5-difluorophenoxy)propan-2-ol
CID 112560779
3-amino-4-(3,5-difluorophenoxy)-1-(2,3-dihydro-1H-inden-1-ylamino)butan-2-ol
CID 91072068
1-(3,5-difluorophenoxy)-3-methoxy-3-methylbutan-2-ol
CID 114228810
2-(3,5-difluorophenoxy)-1-(4-methoxyphenyl)ethanol
CID 62783768
1-(2,2-diethoxyethoxy)-3,5-difluorobenzene
CID 63628941
2-(3,5-difluorophenoxy)-1-(oxolan-3-yl)ethanol
CID 104753703
1-N-but-3-yn-2-yl-4-(3,5-difluorophenoxy)butane-1,3-diamine
CID 91040139
1-(3-fluorophenoxy)-3-methylbutan-2-amine;hydrochloride
CID 86262538
1-(3,5-difluorophenoxy)-N-methylbutan-2-amine
CID 62786158
1-(3,5-difluorophenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 113317787
2-(3,5-difluorophenoxy)-1-(3-methoxyphenyl)ethanol
CID 62783956

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(3,5-difluorophenoxy)-1-fluorobutan-2-ol?
The IUPAC name of 3-amino-4-(3,5-difluorophenoxy)-1-fluorobutan-2-ol (CID 68631534) is 3-amino-4-(3,5-difluorophenoxy)-1-fluorobutan-2-ol.
What is the SMILES notation for 3-amino-4-(3,5-difluorophenoxy)-1-fluorobutan-2-ol?
The canonical SMILES for 3-amino-4-(3,5-difluorophenoxy)-1-fluorobutan-2-ol is NC(COc1cc(F)cc(F)c1)C(O)CF.
What is the InChIKey of 3-amino-4-(3,5-difluorophenoxy)-1-fluorobutan-2-ol?
The InChIKey is DGKPLTQLLPXOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2/c11-4-10(15)9(14)5-16-8-2-6(12)1-7(13)3-8/h1-3,9-10,15H,4-5,14H2.
What are the key properties of 3-amino-4-(3,5-difluorophenoxy)-1-fluorobutan-2-ol?
3-amino-4-(3,5-difluorophenoxy)-1-fluorobutan-2-ol has a molecular weight of 235.20 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3,5-difluorophenoxy)-1-fluorobutan-2-ol is sourced from PubChem (CID 68631534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).