[4-(difluoromethyl)-1,1-dioxothian-4-yl]methanol

C7H12F2O3S — CID 84783399

IUPAC[4-(difluoromethyl)-1,1-dioxothian-4-yl]methanol
SMILESO=S1(=O)CCC(CO)(C(F)F)CC1
InChIInChI=1S/C7H12F2O3S/c8-6(9)7(5-10)1-3-13(11,12)4-2-7/h6,10H,1-5H2
InChIKeyMPIJOSDWVCLWGY-UHFFFAOYSA-N
MW214.23 g/mol
LogP0.44
Rot. Bonds2

About [4-(difluoromethyl)-1,1-dioxothian-4-yl]methanol

[4-(difluoromethyl)-1,1-dioxothian-4-yl]methanol (PubChem CID 84783399) has the molecular formula C7H12F2O3S and a molecular weight of 214.23 g/mol. Its IUPAC name is [4-(difluoromethyl)-1,1-dioxothian-4-yl]methanol.

Molecular Properties

Compound Name[4-(difluoromethyl)-1,1-dioxothian-4-yl]methanol
PubChem CID84783399
Molecular FormulaC7H12F2O3S
Molecular Weight214.23 g/mol
Exact Mass214.05
IUPAC Name[4-(difluoromethyl)-1,1-dioxothian-4-yl]methanol
SMILESO=S1(=O)CCC(CO)(C(F)F)CC1
InChIInChI=1S/C7H12F2O3S/c8-6(9)7(5-10)1-3-13(11,12)4-2-7/h6,10H,1-5H2
InChIKeyMPIJOSDWVCLWGY-UHFFFAOYSA-N
XLogP0.44
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)-1,1-dioxothian-4-yl]methanol?
The IUPAC name of [4-(difluoromethyl)-1,1-dioxothian-4-yl]methanol (CID 84783399) is [4-(difluoromethyl)-1,1-dioxothian-4-yl]methanol.
What is the SMILES notation for [4-(difluoromethyl)-1,1-dioxothian-4-yl]methanol?
The canonical SMILES for [4-(difluoromethyl)-1,1-dioxothian-4-yl]methanol is O=S1(=O)CCC(CO)(C(F)F)CC1.
What is the InChIKey of [4-(difluoromethyl)-1,1-dioxothian-4-yl]methanol?
The InChIKey is MPIJOSDWVCLWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O3S/c8-6(9)7(5-10)1-3-13(11,12)4-2-7/h6,10H,1-5H2.
What are the key properties of [4-(difluoromethyl)-1,1-dioxothian-4-yl]methanol?
[4-(difluoromethyl)-1,1-dioxothian-4-yl]methanol has a molecular weight of 214.23 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)-1,1-dioxothian-4-yl]methanol is sourced from PubChem (CID 84783399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).