1-(2-amino-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol

C14H12F3NO — CID 82920437

IUPAC1-(2-amino-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol
SMILESNc1ccc(F)cc1C(O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H12F3NO/c15-9-2-4-13(18)10(7-9)14(19)6-8-1-3-11(16)12(17)5-8/h1-5,7,14,19H,6,18H2
InChIKeyKHARRIOAGVEMGE-UHFFFAOYSA-N
MW267.25 g/mol
LogP2.96
Rot. Bonds3

About 1-(2-amino-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol

1-(2-amino-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol (PubChem CID 82920437) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is 1-(2-amino-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name1-(2-amino-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol
PubChem CID82920437
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name1-(2-amino-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol
SMILESNc1ccc(F)cc1C(O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H12F3NO/c15-9-2-4-13(18)10(7-9)14(19)6-8-1-3-11(16)12(17)5-8/h1-5,7,14,19H,6,18H2
InChIKeyKHARRIOAGVEMGE-UHFFFAOYSA-N
XLogP2.96
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3,4-difluorophenyl)-1-hydrazinylethyl]-4-fluoroaniline
CID 105263263
1-(2-chloro-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol
CID 105397725
1-(2-amino-5-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 82683165
1-(2-amino-5-fluorophenyl)-2-(3-methylphenyl)ethanol
CID 82684970
1-(2-amino-5-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol
CID 82685676
1-(2,5-difluorophenyl)-2-(4-fluorophenyl)ethanol
CID 61100110
1-(2-amino-5-fluorophenyl)-2-(2-bromo-4-fluorophenyl)ethanol
CID 82684547
1-(2-amino-5-bromophenyl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107884341
1-(2-amino-5-fluorophenyl)-3-methylbutan-1-ol
CID 82685546
1-(2-amino-5-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanol
CID 82685101
1-(2,5-difluorophenyl)-2-(4-methylphenyl)ethanol
CID 61099597
1-(2-amino-5-fluorophenyl)-2-methoxyethanol
CID 82685227

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol?
The IUPAC name of 1-(2-amino-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol (CID 82920437) is 1-(2-amino-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol.
What is the SMILES notation for 1-(2-amino-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol?
The canonical SMILES for 1-(2-amino-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol is Nc1ccc(F)cc1C(O)Cc1ccc(F)c(F)c1.
What is the InChIKey of 1-(2-amino-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol?
The InChIKey is KHARRIOAGVEMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c15-9-2-4-13(18)10(7-9)14(19)6-8-1-3-11(16)12(17)5-8/h1-5,7,14,19H,6,18H2.
What are the key properties of 1-(2-amino-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol?
1-(2-amino-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol has a molecular weight of 267.25 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol is sourced from PubChem (CID 82920437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).