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

C13H13F2NO2 — CID 65189521

IUPAC3-amino-2-(3,5-difluorophenyl)-1-(furan-2-yl)propan-1-ol
SMILESNCC(c1cc(F)cc(F)c1)C(O)c1ccco1
InChIInChI=1S/C13H13F2NO2/c14-9-4-8(5-10(15)6-9)11(7-16)13(17)12-2-1-3-18-12/h1-6,11,13,17H,7,16H2
InChIKeyZOJMGOZSMVXFKH-UHFFFAOYSA-N
MW253.25 g/mol
LogP2.33
Rot. Bonds4

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

3-amino-2-(3,5-difluorophenyl)-1-(furan-2-yl)propan-1-ol (PubChem CID 65189521) has the molecular formula C13H13F2NO2 and a molecular weight of 253.25 g/mol. Its IUPAC name is 3-amino-2-(3,5-difluorophenyl)-1-(furan-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3,5-difluorophenyl)-1-(furan-2-yl)propan-1-ol
PubChem CID65189521
Molecular FormulaC13H13F2NO2
Molecular Weight253.25 g/mol
Exact Mass253.09
IUPAC Name3-amino-2-(3,5-difluorophenyl)-1-(furan-2-yl)propan-1-ol
SMILESNCC(c1cc(F)cc(F)c1)C(O)c1ccco1
InChIInChI=1S/C13H13F2NO2/c14-9-4-8(5-10(15)6-9)11(7-16)13(17)12-2-1-3-18-12/h1-6,11,13,17H,7,16H2
InChIKeyZOJMGOZSMVXFKH-UHFFFAOYSA-N
XLogP2.33
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1,2-bis(3,5-difluorophenyl)propan-1-ol
CID 65189287
3-amino-1-(5-chlorofuran-2-yl)-2-(3,5-difluorophenyl)propan-1-ol
CID 106690427
3-amino-1-(3-chlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 65189903
3-amino-1-(2-chlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 65189186
3-amino-2-(3,5-difluorophenyl)-1-(4-methoxyphenyl)propan-1-ol
CID 65189569
3-amino-1-(3,5-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 65185415
3-amino-1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 65189329
3-amino-1-(2-bromo-5-methylphenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 81116828
3-amino-2-(3-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol
CID 65190027
3-amino-1-(3,5-difluorophenyl)-2-(4-methoxyphenyl)propan-1-ol
CID 65185300
3-amino-1-(2,5-dichlorothiophen-3-yl)-2-(3,5-difluorophenyl)propan-1-ol
CID 107966850
1-(furan-2-yl)-2-phenylbutan-1-ol
CID 115797511

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3,5-difluorophenyl)-1-(furan-2-yl)propan-1-ol?
The IUPAC name of 3-amino-2-(3,5-difluorophenyl)-1-(furan-2-yl)propan-1-ol (CID 65189521) is 3-amino-2-(3,5-difluorophenyl)-1-(furan-2-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(3,5-difluorophenyl)-1-(furan-2-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-(3,5-difluorophenyl)-1-(furan-2-yl)propan-1-ol is NCC(c1cc(F)cc(F)c1)C(O)c1ccco1.
What is the InChIKey of 3-amino-2-(3,5-difluorophenyl)-1-(furan-2-yl)propan-1-ol?
The InChIKey is ZOJMGOZSMVXFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO2/c14-9-4-8(5-10(15)6-9)11(7-16)13(17)12-2-1-3-18-12/h1-6,11,13,17H,7,16H2.
What are the key properties of 3-amino-2-(3,5-difluorophenyl)-1-(furan-2-yl)propan-1-ol?
3-amino-2-(3,5-difluorophenyl)-1-(furan-2-yl)propan-1-ol has a molecular weight of 253.25 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3,5-difluorophenyl)-1-(furan-2-yl)propan-1-ol is sourced from PubChem (CID 65189521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).