1-(2-amino-6-chlorophenyl)-2-(3,4-difluorophenyl)ethanol

C14H12ClF2NO — CID 69318113

IUPAC1-(2-amino-6-chlorophenyl)-2-(3,4-difluorophenyl)ethanol
SMILESNc1cccc(Cl)c1C(O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H12ClF2NO/c15-9-2-1-3-12(18)14(9)13(19)7-8-4-5-10(16)11(17)6-8/h1-6,13,19H,7,18H2
InChIKeyZGAXRNQSGYCQKH-UHFFFAOYSA-N
MW283.71 g/mol
LogP3.48
Rot. Bonds3

About 1-(2-amino-6-chlorophenyl)-2-(3,4-difluorophenyl)ethanol

1-(2-amino-6-chlorophenyl)-2-(3,4-difluorophenyl)ethanol (PubChem CID 69318113) has the molecular formula C14H12ClF2NO and a molecular weight of 283.71 g/mol. Its IUPAC name is 1-(2-amino-6-chlorophenyl)-2-(3,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name1-(2-amino-6-chlorophenyl)-2-(3,4-difluorophenyl)ethanol
PubChem CID69318113
Molecular FormulaC14H12ClF2NO
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC Name1-(2-amino-6-chlorophenyl)-2-(3,4-difluorophenyl)ethanol
SMILESNc1cccc(Cl)c1C(O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H12ClF2NO/c15-9-2-1-3-12(18)14(9)13(19)7-8-4-5-10(16)11(17)6-8/h1-6,13,19H,7,18H2
InChIKeyZGAXRNQSGYCQKH-UHFFFAOYSA-N
XLogP3.48
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6-chlorophenyl)-2-(3,4-difluorophenyl)ethanol?
The IUPAC name of 1-(2-amino-6-chlorophenyl)-2-(3,4-difluorophenyl)ethanol (CID 69318113) is 1-(2-amino-6-chlorophenyl)-2-(3,4-difluorophenyl)ethanol.
What is the SMILES notation for 1-(2-amino-6-chlorophenyl)-2-(3,4-difluorophenyl)ethanol?
The canonical SMILES for 1-(2-amino-6-chlorophenyl)-2-(3,4-difluorophenyl)ethanol is Nc1cccc(Cl)c1C(O)Cc1ccc(F)c(F)c1.
What is the InChIKey of 1-(2-amino-6-chlorophenyl)-2-(3,4-difluorophenyl)ethanol?
The InChIKey is ZGAXRNQSGYCQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2NO/c15-9-2-1-3-12(18)14(9)13(19)7-8-4-5-10(16)11(17)6-8/h1-6,13,19H,7,18H2.
What are the key properties of 1-(2-amino-6-chlorophenyl)-2-(3,4-difluorophenyl)ethanol?
1-(2-amino-6-chlorophenyl)-2-(3,4-difluorophenyl)ethanol has a molecular weight of 283.71 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6-chlorophenyl)-2-(3,4-difluorophenyl)ethanol is sourced from PubChem (CID 69318113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).