(2S)-1-[[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]amino]-3-methoxypropan-2-ol

C12H14F5NO2 — CID 110020517

IUPAC(2S)-1-[[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]amino]-3-methoxypropan-2-ol
SMILESCOC[C@@H](O)CNC(c1c(F)cccc1F)C(F)(F)F
InChIInChI=1S/C12H14F5NO2/c1-20-6-7(19)5-18-11(12(15,16)17)10-8(13)3-2-4-9(10)14/h2-4,7,11,18-19H,5-6H2,1H3/t7-,11?/m0/s1
InChIKeyHETMQULDWNCFAB-RGENBBCFSA-N
MW299.24 g/mol
LogP2.17
Rot. Bonds6

About (2S)-1-[[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]amino]-3-methoxypropan-2-ol

(2S)-1-[[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]amino]-3-methoxypropan-2-ol (PubChem CID 110020517) has the molecular formula C12H14F5NO2 and a molecular weight of 299.24 g/mol. Its IUPAC name is (2S)-1-[[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]amino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]amino]-3-methoxypropan-2-ol
PubChem CID110020517
Molecular FormulaC12H14F5NO2
Molecular Weight299.24 g/mol
Exact Mass299.09
IUPAC Name(2S)-1-[[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]amino]-3-methoxypropan-2-ol
SMILESCOC[C@@H](O)CNC(c1c(F)cccc1F)C(F)(F)F
InChIInChI=1S/C12H14F5NO2/c1-20-6-7(19)5-18-11(12(15,16)17)10-8(13)3-2-4-9(10)14/h2-4,7,11,18-19H,5-6H2,1H3/t7-,11?/m0/s1
InChIKeyHETMQULDWNCFAB-RGENBBCFSA-N
XLogP2.17
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.24
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]amino]-3-methoxypropan-2-ol with MolForge

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Related Compounds

1-[[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]amino]hex-5-en-2-ol
CID 110020518
(2S)-1-methoxy-3-[[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]amino]propan-2-ol
CID 110020509
1-(2-bromo-6-fluoroanilino)-3-methoxypropan-2-ol
CID 107599499
2-[[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]amino]-N,N-dimethylacetamide
CID 75518644
(2S)-1-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-3-methoxypropan-2-ol
CID 122131753
2-[[(1R)-1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]amino]-N-(methylcarbamoyl)acetamide
CID 97346844
1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-methoxypropan-2-ol
CID 81348369
1-(2,6-difluorophenyl)-2-(4-methoxybutan-2-ylamino)ethanol
CID 64603633
1-methoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78953875
1-(3-fluoroanilino)-3-methoxypropan-2-ol
CID 63928582
1-(2,6-difluorophenyl)-2-(2-methoxyethoxyamino)ethanol
CID 82722763
1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-methoxypropan-2-ol
CID 81338280

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]amino]-3-methoxypropan-2-ol?
The IUPAC name of (2S)-1-[[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]amino]-3-methoxypropan-2-ol (CID 110020517) is (2S)-1-[[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]amino]-3-methoxypropan-2-ol.
What is the SMILES notation for (2S)-1-[[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]amino]-3-methoxypropan-2-ol?
The canonical SMILES for (2S)-1-[[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]amino]-3-methoxypropan-2-ol is COC[C@@H](O)CNC(c1c(F)cccc1F)C(F)(F)F.
What is the InChIKey of (2S)-1-[[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]amino]-3-methoxypropan-2-ol?
The InChIKey is HETMQULDWNCFAB-RGENBBCFSA-N. The full InChI is InChI=1S/C12H14F5NO2/c1-20-6-7(19)5-18-11(12(15,16)17)10-8(13)3-2-4-9(10)14/h2-4,7,11,18-19H,5-6H2,1H3/t7-,11?/m0/s1.
What are the key properties of (2S)-1-[[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]amino]-3-methoxypropan-2-ol?
(2S)-1-[[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]amino]-3-methoxypropan-2-ol has a molecular weight of 299.24 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]amino]-3-methoxypropan-2-ol is sourced from PubChem (CID 110020517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).