1,1-difluoro-1-(thian-4-yl)propan-2-ol

C8H14F2OS — CID 105450118

IUPAC1,1-difluoro-1-(thian-4-yl)propan-2-ol
SMILESCC(O)C(F)(F)C1CCSCC1
InChIInChI=1S/C8H14F2OS/c1-6(11)8(9,10)7-2-4-12-5-3-7/h6-7,11H,2-5H2,1H3
InChIKeyCZCFHVKWGCMUKG-UHFFFAOYSA-N
MW196.26 g/mol
LogP2.15
Rot. Bonds2

About 1,1-difluoro-1-(thian-4-yl)propan-2-ol

1,1-difluoro-1-(thian-4-yl)propan-2-ol (PubChem CID 105450118) has the molecular formula C8H14F2OS and a molecular weight of 196.26 g/mol. Its IUPAC name is 1,1-difluoro-1-(thian-4-yl)propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-1-(thian-4-yl)propan-2-ol
PubChem CID105450118
Molecular FormulaC8H14F2OS
Molecular Weight196.26 g/mol
Exact Mass196.07
IUPAC Name1,1-difluoro-1-(thian-4-yl)propan-2-ol
SMILESCC(O)C(F)(F)C1CCSCC1
InChIInChI=1S/C8H14F2OS/c1-6(11)8(9,10)7-2-4-12-5-3-7/h6-7,11H,2-5H2,1H3
InChIKeyCZCFHVKWGCMUKG-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 1,1-difluoro-1-(thian-4-yl)propan-2-ol?
The IUPAC name of 1,1-difluoro-1-(thian-4-yl)propan-2-ol (CID 105450118) is 1,1-difluoro-1-(thian-4-yl)propan-2-ol.
What is the SMILES notation for 1,1-difluoro-1-(thian-4-yl)propan-2-ol?
The canonical SMILES for 1,1-difluoro-1-(thian-4-yl)propan-2-ol is CC(O)C(F)(F)C1CCSCC1.
What is the InChIKey of 1,1-difluoro-1-(thian-4-yl)propan-2-ol?
The InChIKey is CZCFHVKWGCMUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2OS/c1-6(11)8(9,10)7-2-4-12-5-3-7/h6-7,11H,2-5H2,1H3.
What are the key properties of 1,1-difluoro-1-(thian-4-yl)propan-2-ol?
1,1-difluoro-1-(thian-4-yl)propan-2-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 1,1-difluoro-1-(thian-4-yl)propan-2-ol is sourced from PubChem (CID 105450118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).