1,1,1-trifluoro-3-(4-methylsulfanyl-2,3-dihydrochromen-4-yl)propan-2-ol

C13H15F3O2S — CID 69457637

IUPAC1,1,1-trifluoro-3-(4-methylsulfanyl-2,3-dihydrochromen-4-yl)propan-2-ol
SMILESCSC1(CC(O)C(F)(F)F)CCOc2ccccc21
InChIInChI=1S/C13H15F3O2S/c1-19-12(8-11(17)13(14,15)16)6-7-18-10-5-3-2-4-9(10)12/h2-5,11,17H,6-8H2,1H3
InChIKeyXVWCTJYCGBVMAV-UHFFFAOYSA-N
MW292.32 g/mol
LogP3.34
Rot. Bonds3

About 1,1,1-trifluoro-3-(4-methylsulfanyl-2,3-dihydrochromen-4-yl)propan-2-ol

1,1,1-trifluoro-3-(4-methylsulfanyl-2,3-dihydrochromen-4-yl)propan-2-ol (PubChem CID 69457637) has the molecular formula C13H15F3O2S and a molecular weight of 292.32 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(4-methylsulfanyl-2,3-dihydrochromen-4-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(4-methylsulfanyl-2,3-dihydrochromen-4-yl)propan-2-ol
PubChem CID69457637
Molecular FormulaC13H15F3O2S
Molecular Weight292.32 g/mol
Exact Mass292.07
IUPAC Name1,1,1-trifluoro-3-(4-methylsulfanyl-2,3-dihydrochromen-4-yl)propan-2-ol
SMILESCSC1(CC(O)C(F)(F)F)CCOc2ccccc21
InChIInChI=1S/C13H15F3O2S/c1-19-12(8-11(17)13(14,15)16)6-7-18-10-5-3-2-4-9(10)12/h2-5,11,17H,6-8H2,1H3
InChIKeyXVWCTJYCGBVMAV-UHFFFAOYSA-N
XLogP3.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(4-methylsulfanyl-2,3-dihydrochromen-4-yl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(4-methylsulfanyl-2,3-dihydrochromen-4-yl)propan-2-ol (CID 69457637) is 1,1,1-trifluoro-3-(4-methylsulfanyl-2,3-dihydrochromen-4-yl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(4-methylsulfanyl-2,3-dihydrochromen-4-yl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(4-methylsulfanyl-2,3-dihydrochromen-4-yl)propan-2-ol is CSC1(CC(O)C(F)(F)F)CCOc2ccccc21.
What is the InChIKey of 1,1,1-trifluoro-3-(4-methylsulfanyl-2,3-dihydrochromen-4-yl)propan-2-ol?
The InChIKey is XVWCTJYCGBVMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O2S/c1-19-12(8-11(17)13(14,15)16)6-7-18-10-5-3-2-4-9(10)12/h2-5,11,17H,6-8H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-(4-methylsulfanyl-2,3-dihydrochromen-4-yl)propan-2-ol?
1,1,1-trifluoro-3-(4-methylsulfanyl-2,3-dihydrochromen-4-yl)propan-2-ol has a molecular weight of 292.32 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(4-methylsulfanyl-2,3-dihydrochromen-4-yl)propan-2-ol is sourced from PubChem (CID 69457637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).