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

C10H11ClF3NO — CID 3812359

IUPAC3-[(4-chlorophenyl)methylamino]-1,1,1-trifluoropropan-2-ol
SMILESOC(CNCc1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C10H11ClF3NO/c11-8-3-1-7(2-4-8)5-15-6-9(16)10(12,13)14/h1-4,9,15-16H,5-6H2
InChIKeyDBDUZHCCIBXHPL-UHFFFAOYSA-N
MW253.65 g/mol
LogP2.35
Rot. Bonds4

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

3-[(4-chlorophenyl)methylamino]-1,1,1-trifluoropropan-2-ol (PubChem CID 3812359) has the molecular formula C10H11ClF3NO and a molecular weight of 253.65 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methylamino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methylamino]-1,1,1-trifluoropropan-2-ol
PubChem CID3812359
Molecular FormulaC10H11ClF3NO
Molecular Weight253.65 g/mol
Exact Mass253.05
IUPAC Name3-[(4-chlorophenyl)methylamino]-1,1,1-trifluoropropan-2-ol
SMILESOC(CNCc1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C10H11ClF3NO/c11-8-3-1-7(2-4-8)5-15-6-9(16)10(12,13)14/h1-4,9,15-16H,5-6H2
InChIKeyDBDUZHCCIBXHPL-UHFFFAOYSA-N
XLogP2.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methylamino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[(4-chlorophenyl)methylamino]-1,1,1-trifluoropropan-2-ol (CID 3812359) is 3-[(4-chlorophenyl)methylamino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[(4-chlorophenyl)methylamino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[(4-chlorophenyl)methylamino]-1,1,1-trifluoropropan-2-ol is OC(CNCc1ccc(Cl)cc1)C(F)(F)F.
What is the InChIKey of 3-[(4-chlorophenyl)methylamino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is DBDUZHCCIBXHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3NO/c11-8-3-1-7(2-4-8)5-15-6-9(16)10(12,13)14/h1-4,9,15-16H,5-6H2.
What are the key properties of 3-[(4-chlorophenyl)methylamino]-1,1,1-trifluoropropan-2-ol?
3-[(4-chlorophenyl)methylamino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 253.65 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methylamino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 3812359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).