2-[2-(4-chlorophenyl)ethylamino]-3,3,3-trifluoropropan-1-ol

C11H13ClF3NO — CID 141365803

IUPAC2-[2-(4-chlorophenyl)ethylamino]-3,3,3-trifluoropropan-1-ol
SMILESOCC(NCCc1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C11H13ClF3NO/c12-9-3-1-8(2-4-9)5-6-16-10(7-17)11(13,14)15/h1-4,10,16-17H,5-7H2
InChIKeyWHYKSCPUECYCFY-UHFFFAOYSA-N
MW267.68 g/mol
LogP2.40
Rot. Bonds5

About 2-[2-(4-chlorophenyl)ethylamino]-3,3,3-trifluoropropan-1-ol

2-[2-(4-chlorophenyl)ethylamino]-3,3,3-trifluoropropan-1-ol (PubChem CID 141365803) has the molecular formula C11H13ClF3NO and a molecular weight of 267.68 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethylamino]-3,3,3-trifluoropropan-1-ol.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethylamino]-3,3,3-trifluoropropan-1-ol
PubChem CID141365803
Molecular FormulaC11H13ClF3NO
Molecular Weight267.68 g/mol
Exact Mass267.06
IUPAC Name2-[2-(4-chlorophenyl)ethylamino]-3,3,3-trifluoropropan-1-ol
SMILESOCC(NCCc1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C11H13ClF3NO/c12-9-3-1-8(2-4-9)5-6-16-10(7-17)11(13,14)15/h1-4,10,16-17H,5-7H2
InChIKeyWHYKSCPUECYCFY-UHFFFAOYSA-N
XLogP2.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethylamino]-3,3,3-trifluoropropan-1-ol?
The IUPAC name of 2-[2-(4-chlorophenyl)ethylamino]-3,3,3-trifluoropropan-1-ol (CID 141365803) is 2-[2-(4-chlorophenyl)ethylamino]-3,3,3-trifluoropropan-1-ol.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethylamino]-3,3,3-trifluoropropan-1-ol?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethylamino]-3,3,3-trifluoropropan-1-ol is OCC(NCCc1ccc(Cl)cc1)C(F)(F)F.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethylamino]-3,3,3-trifluoropropan-1-ol?
The InChIKey is WHYKSCPUECYCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3NO/c12-9-3-1-8(2-4-9)5-6-16-10(7-17)11(13,14)15/h1-4,10,16-17H,5-7H2.
What are the key properties of 2-[2-(4-chlorophenyl)ethylamino]-3,3,3-trifluoropropan-1-ol?
2-[2-(4-chlorophenyl)ethylamino]-3,3,3-trifluoropropan-1-ol has a molecular weight of 267.68 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethylamino]-3,3,3-trifluoropropan-1-ol is sourced from PubChem (CID 141365803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).