3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1,1,1-trifluoropropan-2-ol

C11H13ClF3NO — CID 81372262

IUPAC3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1,1,1-trifluoropropan-2-ol
SMILESC[C@H](NCC(O)C(F)(F)F)c1cccc(Cl)c1
InChIInChI=1S/C11H13ClF3NO/c1-7(8-3-2-4-9(12)5-8)16-6-10(17)11(13,14)15/h2-5,7,10,16-17H,6H2,1H3/t7-,10?/m0/s1
InChIKeyQZKQGAUHDHIWMY-BYDSUWOYSA-N
MW267.68 g/mol
LogP2.91
Rot. Bonds4

About 3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1,1,1-trifluoropropan-2-ol

3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 81372262) has the molecular formula C11H13ClF3NO and a molecular weight of 267.68 g/mol. Its IUPAC name is 3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1,1,1-trifluoropropan-2-ol
PubChem CID81372262
Molecular FormulaC11H13ClF3NO
Molecular Weight267.68 g/mol
Exact Mass267.06
IUPAC Name3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1,1,1-trifluoropropan-2-ol
SMILESC[C@H](NCC(O)C(F)(F)F)c1cccc(Cl)c1
InChIInChI=1S/C11H13ClF3NO/c1-7(8-3-2-4-9(12)5-8)16-6-10(17)11(13,14)15/h2-5,7,10,16-17H,6H2,1H3/t7-,10?/m0/s1
InChIKeyQZKQGAUHDHIWMY-BYDSUWOYSA-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-(3-chlorophenyl)ethylamino]propan-2-ol
CID 43499317
3-[[(1R)-1-(3-bromophenyl)ethyl]amino]-1,1,1-trifluoropropan-2-ol
CID 81381755
3-[1-(4-chlorophenyl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 63902301
1,1,1-trifluoro-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78954039
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1-(3,4-difluorophenyl)ethanol
CID 81370353
2-[1-(3-chlorophenyl)ethylamino]-1-(3,4-difluorophenyl)ethanol
CID 60981403
3-[1-(3-bromo-4-fluorophenyl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 103778624
N-[1-(3-chlorophenyl)ethyl]-2-phenylpropan-1-amine
CID 43080383
N-[(1S)-1-(3-chlorophenyl)ethyl]-2,2-dimethoxyethanamine
CID 81366163
[1-(3-chlorophenyl)ethylamino]methanethiol
CID 88942824
(2S)-1,1,1-trifluoro-3-[[(1R)-1-(3-imidazol-1-ylphenyl)ethyl]amino]propan-2-ol
CID 99858446
1,1,1-trifluoro-3-(1-pyridin-4-ylethylamino)propan-2-ol
CID 63901888

Frequently Asked Questions

What is the IUPAC name of 3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1,1,1-trifluoropropan-2-ol (CID 81372262) is 3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1,1,1-trifluoropropan-2-ol is C[C@H](NCC(O)C(F)(F)F)c1cccc(Cl)c1.
What is the InChIKey of 3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is QZKQGAUHDHIWMY-BYDSUWOYSA-N. The full InChI is InChI=1S/C11H13ClF3NO/c1-7(8-3-2-4-9(12)5-8)16-6-10(17)11(13,14)15/h2-5,7,10,16-17H,6H2,1H3/t7-,10?/m0/s1.
What are the key properties of 3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1,1,1-trifluoropropan-2-ol?
3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-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-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 81372262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).