1-[2-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-yl]-2-[3-(trifluoromethyl)phenyl]ethanone

C19H16F6O3S — CID 162603639

IUPAC1-[2-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1cccc(C(F)(F)F)c1)c1c(C[C@@H](O)C(F)(F)F)sc2c1CCOC2
InChIInChI=1S/C19H16F6O3S/c20-18(21,22)11-3-1-2-10(6-11)7-13(26)17-12-4-5-28-9-15(12)29-14(17)8-16(27)19(23,24)25/h1-3,6,16,27H,4-5,7-9H2/t16-/m1/s1
InChIKeyIAWDGANDMHCOLD-MRXNPFEDSA-N
MW438.39 g/mol
LogP4.73
Rot. Bonds5

About 1-[2-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-yl]-2-[3-(trifluoromethyl)phenyl]ethanone

1-[2-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-yl]-2-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 162603639) has the molecular formula C19H16F6O3S and a molecular weight of 438.39 g/mol. Its IUPAC name is 1-[2-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-yl]-2-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
PubChem CID162603639
Molecular FormulaC19H16F6O3S
Molecular Weight438.39 g/mol
Exact Mass438.07
IUPAC Name1-[2-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1cccc(C(F)(F)F)c1)c1c(C[C@@H](O)C(F)(F)F)sc2c1CCOC2
InChIInChI=1S/C19H16F6O3S/c20-18(21,22)11-3-1-2-10(6-11)7-13(26)17-12-4-5-28-9-15(12)29-14(17)8-16(27)19(23,24)25/h1-3,6,16,27H,4-5,7-9H2/t16-/m1/s1
InChIKeyIAWDGANDMHCOLD-MRXNPFEDSA-N
XLogP4.73
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.39
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-yl]-2-[3-(trifluoromethyl)phenyl]ethanone with MolForge

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Related Compounds

2-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 155657748
4-[(1R)-1-[[hydroxy-[2-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-yl]methyl]amino]ethyl]benzoic acid
CID 155274255
N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 35272557
1-cyclopropyl-1-hydroxy-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 103455718
1-[4-(4-fluorophenyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 57090023
1-(3,5-dichlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 114966350
2-[[4-(trifluoromethyl)phenyl]methylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 172747793
1-(4-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 63411308
3-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-one
CID 79617609
1-(3-aminophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 116548555
1-(2-iodophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 114966369
1-(5-pyridin-4-ylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 162208800

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-yl]-2-[3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[2-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-yl]-2-[3-(trifluoromethyl)phenyl]ethanone (CID 162603639) is 1-[2-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-yl]-2-[3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[2-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-yl]-2-[3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[2-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-yl]-2-[3-(trifluoromethyl)phenyl]ethanone is O=C(Cc1cccc(C(F)(F)F)c1)c1c(C[C@@H](O)C(F)(F)F)sc2c1CCOC2.
What is the InChIKey of 1-[2-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-yl]-2-[3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is IAWDGANDMHCOLD-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H16F6O3S/c20-18(21,22)11-3-1-2-10(6-11)7-13(26)17-12-4-5-28-9-15(12)29-14(17)8-16(27)19(23,24)25/h1-3,6,16,27H,4-5,7-9H2/t16-/m1/s1.
What are the key properties of 1-[2-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-yl]-2-[3-(trifluoromethyl)phenyl]ethanone?
1-[2-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-yl]-2-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 438.39 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-yl]-2-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 162603639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).