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

C15H13F4NO — CID 65189287

IUPAC3-amino-1,2-bis(3,5-difluorophenyl)propan-1-ol
SMILESNCC(c1cc(F)cc(F)c1)C(O)c1cc(F)cc(F)c1
InChIInChI=1S/C15H13F4NO/c16-10-1-8(2-11(17)5-10)14(7-20)15(21)9-3-12(18)6-13(19)4-9/h1-6,14-15,21H,7,20H2
InChIKeyZFAQOUJQBCHMCG-UHFFFAOYSA-N
MW299.27 g/mol
LogP3.02
Rot. Bonds4

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

3-amino-1,2-bis(3,5-difluorophenyl)propan-1-ol (PubChem CID 65189287) has the molecular formula C15H13F4NO and a molecular weight of 299.27 g/mol. Its IUPAC name is 3-amino-1,2-bis(3,5-difluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1,2-bis(3,5-difluorophenyl)propan-1-ol
PubChem CID65189287
Molecular FormulaC15H13F4NO
Molecular Weight299.27 g/mol
Exact Mass299.09
IUPAC Name3-amino-1,2-bis(3,5-difluorophenyl)propan-1-ol
SMILESNCC(c1cc(F)cc(F)c1)C(O)c1cc(F)cc(F)c1
InChIInChI=1S/C15H13F4NO/c16-10-1-8(2-11(17)5-10)14(7-20)15(21)9-3-12(18)6-13(19)4-9/h1-6,14-15,21H,7,20H2
InChIKeyZFAQOUJQBCHMCG-UHFFFAOYSA-N
XLogP3.02
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(3,5-difluorophenyl)-2-(4-methoxyphenyl)propan-1-ol
CID 65185300
3-amino-2-(3,5-difluorophenyl)-1-(4-methoxyphenyl)propan-1-ol
CID 65189569
3-amino-1-(3-chlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 65189903
3-amino-1-(5-chlorofuran-2-yl)-2-(3,5-difluorophenyl)propan-1-ol
CID 106690427
3-amino-2-(3,5-difluorophenyl)-1-(furan-2-yl)propan-1-ol
CID 65189521
3-amino-1-(3,5-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 65185415
3-amino-1-(2-chlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 65189186
3-amino-1-(2,5-dichlorothiophen-3-yl)-2-(3,5-difluorophenyl)propan-1-ol
CID 107966850
3-amino-1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 65189329
2-(3,5-difluorophenyl)butane-1,3-diamine
CID 57152916
3-amino-2-(2-chloro-6-fluorophenyl)-1-(3,5-difluorophenyl)propan-1-ol
CID 65186627
3-amino-1-(3-bromo-5-fluorophenyl)-2-pyridin-4-ylpropan-1-ol
CID 80525918

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,2-bis(3,5-difluorophenyl)propan-1-ol?
The IUPAC name of 3-amino-1,2-bis(3,5-difluorophenyl)propan-1-ol (CID 65189287) is 3-amino-1,2-bis(3,5-difluorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1,2-bis(3,5-difluorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1,2-bis(3,5-difluorophenyl)propan-1-ol is NCC(c1cc(F)cc(F)c1)C(O)c1cc(F)cc(F)c1.
What is the InChIKey of 3-amino-1,2-bis(3,5-difluorophenyl)propan-1-ol?
The InChIKey is ZFAQOUJQBCHMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NO/c16-10-1-8(2-11(17)5-10)14(7-20)15(21)9-3-12(18)6-13(19)4-9/h1-6,14-15,21H,7,20H2.
What are the key properties of 3-amino-1,2-bis(3,5-difluorophenyl)propan-1-ol?
3-amino-1,2-bis(3,5-difluorophenyl)propan-1-ol has a molecular weight of 299.27 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,2-bis(3,5-difluorophenyl)propan-1-ol is sourced from PubChem (CID 65189287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).