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

C11H13ClF3NO — CID 63902301

IUPAC3-[1-(4-chlorophenyl)ethylamino]-1,1,1-trifluoropropan-2-ol
SMILESCC(NCC(O)C(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClF3NO/c1-7(8-2-4-9(12)5-3-8)16-6-10(17)11(13,14)15/h2-5,7,10,16-17H,6H2,1H3
InChIKeyLJIIDEMLNNSFBZ-UHFFFAOYSA-N
MW267.68 g/mol
LogP2.91
Rot. Bonds4

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

3-[1-(4-chlorophenyl)ethylamino]-1,1,1-trifluoropropan-2-ol (PubChem CID 63902301) has the molecular formula C11H13ClF3NO and a molecular weight of 267.68 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)ethylamino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)ethylamino]-1,1,1-trifluoropropan-2-ol
PubChem CID63902301
Molecular FormulaC11H13ClF3NO
Molecular Weight267.68 g/mol
Exact Mass267.06
IUPAC Name3-[1-(4-chlorophenyl)ethylamino]-1,1,1-trifluoropropan-2-ol
SMILESCC(NCC(O)C(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClF3NO/c1-7(8-2-4-9(12)5-3-8)16-6-10(17)11(13,14)15/h2-5,7,10,16-17H,6H2,1H3
InChIKeyLJIIDEMLNNSFBZ-UHFFFAOYSA-N
XLogP2.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-trifluoro-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78954039
3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1,1,1-trifluoropropan-2-ol
CID 81372262
3-[1-(3-bromo-4-fluorophenyl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 103778624
1,1,1-trifluoro-3-(1-pyridin-4-ylethylamino)propan-2-ol
CID 63901888
1,1,1-trifluoro-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol
CID 81410735
2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-3,3,3-trifluoropropanoic acid
CID 103257205
2-[1-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol
CID 60714730
2-[[1-(4-chlorophenyl)ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369814
1-(4-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol
CID 78953095
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-(2,6-difluorophenyl)ethanol
CID 81356349
1-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 81353301
3-[[(1R)-1-(3-bromophenyl)ethyl]amino]-1,1,1-trifluoropropan-2-ol
CID 81381755

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)ethylamino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[1-(4-chlorophenyl)ethylamino]-1,1,1-trifluoropropan-2-ol (CID 63902301) is 3-[1-(4-chlorophenyl)ethylamino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[1-(4-chlorophenyl)ethylamino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[1-(4-chlorophenyl)ethylamino]-1,1,1-trifluoropropan-2-ol is CC(NCC(O)C(F)(F)F)c1ccc(Cl)cc1.
What is the InChIKey of 3-[1-(4-chlorophenyl)ethylamino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is LJIIDEMLNNSFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3NO/c1-7(8-2-4-9(12)5-3-8)16-6-10(17)11(13,14)15/h2-5,7,10,16-17H,6H2,1H3.
What are the key properties of 3-[1-(4-chlorophenyl)ethylamino]-1,1,1-trifluoropropan-2-ol?
3-[1-(4-chlorophenyl)ethylamino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 267.68 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)ethylamino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63902301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).