4-(2,2-difluoropropyl)thian-3-ol

C8H14F2OS — CID 115020722

IUPAC4-(2,2-difluoropropyl)thian-3-ol
SMILESCC(F)(F)CC1CCSCC1O
InChIInChI=1S/C8H14F2OS/c1-8(9,10)4-6-2-3-12-5-7(6)11/h6-7,11H,2-5H2,1H3
InChIKeyKKTQPYAAJCYCFZ-UHFFFAOYSA-N
MW196.26 g/mol
LogP2.15
Rot. Bonds2

About 4-(2,2-difluoropropyl)thian-3-ol

4-(2,2-difluoropropyl)thian-3-ol (PubChem CID 115020722) has the molecular formula C8H14F2OS and a molecular weight of 196.26 g/mol. Its IUPAC name is 4-(2,2-difluoropropyl)thian-3-ol.

Molecular Properties

Compound Name4-(2,2-difluoropropyl)thian-3-ol
PubChem CID115020722
Molecular FormulaC8H14F2OS
Molecular Weight196.26 g/mol
Exact Mass196.07
IUPAC Name4-(2,2-difluoropropyl)thian-3-ol
SMILESCC(F)(F)CC1CCSCC1O
InChIInChI=1S/C8H14F2OS/c1-8(9,10)4-6-2-3-12-5-7(6)11/h6-7,11H,2-5H2,1H3
InChIKeyKKTQPYAAJCYCFZ-UHFFFAOYSA-N
XLogP2.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.26
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoropropyl)thian-3-ol?
The IUPAC name of 4-(2,2-difluoropropyl)thian-3-ol (CID 115020722) is 4-(2,2-difluoropropyl)thian-3-ol.
What is the SMILES notation for 4-(2,2-difluoropropyl)thian-3-ol?
The canonical SMILES for 4-(2,2-difluoropropyl)thian-3-ol is CC(F)(F)CC1CCSCC1O.
What is the InChIKey of 4-(2,2-difluoropropyl)thian-3-ol?
The InChIKey is KKTQPYAAJCYCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2OS/c1-8(9,10)4-6-2-3-12-5-7(6)11/h6-7,11H,2-5H2,1H3.
What are the key properties of 4-(2,2-difluoropropyl)thian-3-ol?
4-(2,2-difluoropropyl)thian-3-ol has a molecular weight of 196.26 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoropropyl)thian-3-ol is sourced from PubChem (CID 115020722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).