6-(1,1-difluoropropyl)-3,4-dihydro-2H-thiochromene 1,1-dioxide

C12H14F2O2S — CID 116841318

IUPAC6-(1,1-difluoropropyl)-3,4-dihydro-2H-thiochromene 1,1-dioxide
SMILESCCC(F)(F)c1ccc2c(c1)CCCS2(=O)=O
InChIInChI=1S/C12H14F2O2S/c1-2-12(13,14)10-5-6-11-9(8-10)4-3-7-17(11,15)16/h5-6,8H,2-4,7H2,1H3
InChIKeyLIKKIBRXXRSMTL-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.91
Rot. Bonds2

About 6-(1,1-difluoropropyl)-3,4-dihydro-2H-thiochromene 1,1-dioxide

6-(1,1-difluoropropyl)-3,4-dihydro-2H-thiochromene 1,1-dioxide (PubChem CID 116841318) has the molecular formula C12H14F2O2S and a molecular weight of 260.30 g/mol. Its IUPAC name is 6-(1,1-difluoropropyl)-3,4-dihydro-2H-thiochromene 1,1-dioxide.

Molecular Properties

Compound Name6-(1,1-difluoropropyl)-3,4-dihydro-2H-thiochromene 1,1-dioxide
PubChem CID116841318
Molecular FormulaC12H14F2O2S
Molecular Weight260.30 g/mol
Exact Mass260.07
IUPAC Name6-(1,1-difluoropropyl)-3,4-dihydro-2H-thiochromene 1,1-dioxide
SMILESCCC(F)(F)c1ccc2c(c1)CCCS2(=O)=O
InChIInChI=1S/C12H14F2O2S/c1-2-12(13,14)10-5-6-11-9(8-10)4-3-7-17(11,15)16/h5-6,8H,2-4,7H2,1H3
InChIKeyLIKKIBRXXRSMTL-UHFFFAOYSA-N
XLogP2.91
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(1,1-difluoropropyl)-3,4-dihydro-2H-thiochromene 1,1-dioxide?
The IUPAC name of 6-(1,1-difluoropropyl)-3,4-dihydro-2H-thiochromene 1,1-dioxide (CID 116841318) is 6-(1,1-difluoropropyl)-3,4-dihydro-2H-thiochromene 1,1-dioxide.
What is the SMILES notation for 6-(1,1-difluoropropyl)-3,4-dihydro-2H-thiochromene 1,1-dioxide?
The canonical SMILES for 6-(1,1-difluoropropyl)-3,4-dihydro-2H-thiochromene 1,1-dioxide is CCC(F)(F)c1ccc2c(c1)CCCS2(=O)=O.
What is the InChIKey of 6-(1,1-difluoropropyl)-3,4-dihydro-2H-thiochromene 1,1-dioxide?
The InChIKey is LIKKIBRXXRSMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O2S/c1-2-12(13,14)10-5-6-11-9(8-10)4-3-7-17(11,15)16/h5-6,8H,2-4,7H2,1H3.
What are the key properties of 6-(1,1-difluoropropyl)-3,4-dihydro-2H-thiochromene 1,1-dioxide?
6-(1,1-difluoropropyl)-3,4-dihydro-2H-thiochromene 1,1-dioxide has a molecular weight of 260.30 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-difluoropropyl)-3,4-dihydro-2H-thiochromene 1,1-dioxide is sourced from PubChem (CID 116841318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).