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

C13H12ClF2NO2 — CID 106690427

IUPAC3-amino-1-(5-chlorofuran-2-yl)-2-(3,5-difluorophenyl)propan-1-ol
SMILESNCC(c1cc(F)cc(F)c1)C(O)c1ccc(Cl)o1
InChIInChI=1S/C13H12ClF2NO2/c14-12-2-1-11(19-12)13(18)10(6-17)7-3-8(15)5-9(16)4-7/h1-5,10,13,18H,6,17H2
InChIKeyKSUVNQMIHXJGBF-UHFFFAOYSA-N
MW287.69 g/mol
LogP2.99
Rot. Bonds4

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

3-amino-1-(5-chlorofuran-2-yl)-2-(3,5-difluorophenyl)propan-1-ol (PubChem CID 106690427) has the molecular formula C13H12ClF2NO2 and a molecular weight of 287.69 g/mol. Its IUPAC name is 3-amino-1-(5-chlorofuran-2-yl)-2-(3,5-difluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(5-chlorofuran-2-yl)-2-(3,5-difluorophenyl)propan-1-ol
PubChem CID106690427
Molecular FormulaC13H12ClF2NO2
Molecular Weight287.69 g/mol
Exact Mass287.05
IUPAC Name3-amino-1-(5-chlorofuran-2-yl)-2-(3,5-difluorophenyl)propan-1-ol
SMILESNCC(c1cc(F)cc(F)c1)C(O)c1ccc(Cl)o1
InChIInChI=1S/C13H12ClF2NO2/c14-12-2-1-11(19-12)13(18)10(6-17)7-3-8(15)5-9(16)4-7/h1-5,10,13,18H,6,17H2
InChIKeyKSUVNQMIHXJGBF-UHFFFAOYSA-N
XLogP2.99
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.69
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(5-chlorofuran-2-yl)-2-(3,4-dimethylphenyl)propan-1-ol
CID 106690431
3-amino-1,2-bis(3,5-difluorophenyl)propan-1-ol
CID 65189287
3-amino-1-(2-chlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 65189186
3-amino-1-(3-chlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 65189903
3-amino-2-(3,5-difluorophenyl)-1-(furan-2-yl)propan-1-ol
CID 65189521
3-amino-1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 65189329
(5-chlorofuran-2-yl)-(3,5-difluorophenyl)methanamine
CID 106691928
3-amino-2-(3-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol
CID 65190027
3-amino-1-(2,5-dichlorothiophen-3-yl)-2-(3,5-difluorophenyl)propan-1-ol
CID 107966850
(1R)-2-amino-1-(5-chlorofuran-2-yl)ethanol
CID 96633937
3-amino-2-(3,5-difluorophenyl)-1-(4-methoxyphenyl)propan-1-ol
CID 65189569
3-amino-1-(2-bromo-5-methylphenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 81116828

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-chlorofuran-2-yl)-2-(3,5-difluorophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(5-chlorofuran-2-yl)-2-(3,5-difluorophenyl)propan-1-ol (CID 106690427) is 3-amino-1-(5-chlorofuran-2-yl)-2-(3,5-difluorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(5-chlorofuran-2-yl)-2-(3,5-difluorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(5-chlorofuran-2-yl)-2-(3,5-difluorophenyl)propan-1-ol is NCC(c1cc(F)cc(F)c1)C(O)c1ccc(Cl)o1.
What is the InChIKey of 3-amino-1-(5-chlorofuran-2-yl)-2-(3,5-difluorophenyl)propan-1-ol?
The InChIKey is KSUVNQMIHXJGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF2NO2/c14-12-2-1-11(19-12)13(18)10(6-17)7-3-8(15)5-9(16)4-7/h1-5,10,13,18H,6,17H2.
What are the key properties of 3-amino-1-(5-chlorofuran-2-yl)-2-(3,5-difluorophenyl)propan-1-ol?
3-amino-1-(5-chlorofuran-2-yl)-2-(3,5-difluorophenyl)propan-1-ol has a molecular weight of 287.69 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-chlorofuran-2-yl)-2-(3,5-difluorophenyl)propan-1-ol is sourced from PubChem (CID 106690427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).