2-(4-chloroanilino)-2-(4-fluorophenyl)propan-1-ol

C15H15ClFNO — CID 61048112

IUPAC2-(4-chloroanilino)-2-(4-fluorophenyl)propan-1-ol
SMILESCC(CO)(Nc1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H15ClFNO/c1-15(10-19,11-2-6-13(17)7-3-11)18-14-8-4-12(16)5-9-14/h2-9,18-19H,10H2,1H3
InChIKeySWIABLCZZIUFCG-UHFFFAOYSA-N
MW279.74 g/mol
LogP3.80
Rot. Bonds4

About 2-(4-chloroanilino)-2-(4-fluorophenyl)propan-1-ol

2-(4-chloroanilino)-2-(4-fluorophenyl)propan-1-ol (PubChem CID 61048112) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 2-(4-chloroanilino)-2-(4-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-(4-chloroanilino)-2-(4-fluorophenyl)propan-1-ol
PubChem CID61048112
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name2-(4-chloroanilino)-2-(4-fluorophenyl)propan-1-ol
SMILESCC(CO)(Nc1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H15ClFNO/c1-15(10-19,11-2-6-13(17)7-3-11)18-14-8-4-12(16)5-9-14/h2-9,18-19H,10H2,1H3
InChIKeySWIABLCZZIUFCG-UHFFFAOYSA-N
XLogP3.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-2-(4-fluorophenyl)propan-1-ol?
The IUPAC name of 2-(4-chloroanilino)-2-(4-fluorophenyl)propan-1-ol (CID 61048112) is 2-(4-chloroanilino)-2-(4-fluorophenyl)propan-1-ol.
What is the SMILES notation for 2-(4-chloroanilino)-2-(4-fluorophenyl)propan-1-ol?
The canonical SMILES for 2-(4-chloroanilino)-2-(4-fluorophenyl)propan-1-ol is CC(CO)(Nc1ccc(Cl)cc1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-chloroanilino)-2-(4-fluorophenyl)propan-1-ol?
The InChIKey is SWIABLCZZIUFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-15(10-19,11-2-6-13(17)7-3-11)18-14-8-4-12(16)5-9-14/h2-9,18-19H,10H2,1H3.
What are the key properties of 2-(4-chloroanilino)-2-(4-fluorophenyl)propan-1-ol?
2-(4-chloroanilino)-2-(4-fluorophenyl)propan-1-ol has a molecular weight of 279.74 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-2-(4-fluorophenyl)propan-1-ol is sourced from PubChem (CID 61048112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).