2-amino-1-(3,4-difluoro-5-phenylphenyl)ethanol

C14H13F2NO — CID 117375534

IUPAC2-amino-1-(3,4-difluoro-5-phenylphenyl)ethanol
SMILESNCC(O)c1cc(F)c(F)c(-c2ccccc2)c1
InChIInChI=1S/C14H13F2NO/c15-12-7-10(13(18)8-17)6-11(14(12)16)9-4-2-1-3-5-9/h1-7,13,18H,8,17H2
InChIKeyWYZNBYDGIAWWES-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.62
Rot. Bonds3

About 2-amino-1-(3,4-difluoro-5-phenylphenyl)ethanol

2-amino-1-(3,4-difluoro-5-phenylphenyl)ethanol (PubChem CID 117375534) has the molecular formula C14H13F2NO and a molecular weight of 249.26 g/mol. Its IUPAC name is 2-amino-1-(3,4-difluoro-5-phenylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(3,4-difluoro-5-phenylphenyl)ethanol
PubChem CID117375534
Molecular FormulaC14H13F2NO
Molecular Weight249.26 g/mol
Exact Mass249.10
IUPAC Name2-amino-1-(3,4-difluoro-5-phenylphenyl)ethanol
SMILESNCC(O)c1cc(F)c(F)c(-c2ccccc2)c1
InChIInChI=1S/C14H13F2NO/c15-12-7-10(13(18)8-17)6-11(14(12)16)9-4-2-1-3-5-9/h1-7,13,18H,8,17H2
InChIKeyWYZNBYDGIAWWES-UHFFFAOYSA-N
XLogP2.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,4-difluoro-5-phenylphenyl)ethanol?
The IUPAC name of 2-amino-1-(3,4-difluoro-5-phenylphenyl)ethanol (CID 117375534) is 2-amino-1-(3,4-difluoro-5-phenylphenyl)ethanol.
What is the SMILES notation for 2-amino-1-(3,4-difluoro-5-phenylphenyl)ethanol?
The canonical SMILES for 2-amino-1-(3,4-difluoro-5-phenylphenyl)ethanol is NCC(O)c1cc(F)c(F)c(-c2ccccc2)c1.
What is the InChIKey of 2-amino-1-(3,4-difluoro-5-phenylphenyl)ethanol?
The InChIKey is WYZNBYDGIAWWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO/c15-12-7-10(13(18)8-17)6-11(14(12)16)9-4-2-1-3-5-9/h1-7,13,18H,8,17H2.
What are the key properties of 2-amino-1-(3,4-difluoro-5-phenylphenyl)ethanol?
2-amino-1-(3,4-difluoro-5-phenylphenyl)ethanol has a molecular weight of 249.26 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3,4-difluoro-5-phenylphenyl)ethanol is sourced from PubChem (CID 117375534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).