1,1-difluoro-1-(thian-3-yl)propan-2-ol

C8H14F2OS — CID 105450117

IUPAC1,1-difluoro-1-(thian-3-yl)propan-2-ol
SMILESCC(O)C(F)(F)C1CCCSC1
InChIInChI=1S/C8H14F2OS/c1-6(11)8(9,10)7-3-2-4-12-5-7/h6-7,11H,2-5H2,1H3
InChIKeyMRAPNYGMZXWGJQ-UHFFFAOYSA-N
MW196.26 g/mol
LogP2.15
Rot. Bonds2

About 1,1-difluoro-1-(thian-3-yl)propan-2-ol

1,1-difluoro-1-(thian-3-yl)propan-2-ol (PubChem CID 105450117) has the molecular formula C8H14F2OS and a molecular weight of 196.26 g/mol. Its IUPAC name is 1,1-difluoro-1-(thian-3-yl)propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-1-(thian-3-yl)propan-2-ol
PubChem CID105450117
Molecular FormulaC8H14F2OS
Molecular Weight196.26 g/mol
Exact Mass196.07
IUPAC Name1,1-difluoro-1-(thian-3-yl)propan-2-ol
SMILESCC(O)C(F)(F)C1CCCSC1
InChIInChI=1S/C8H14F2OS/c1-6(11)8(9,10)7-3-2-4-12-5-7/h6-7,11H,2-5H2,1H3
InChIKeyMRAPNYGMZXWGJQ-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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Related Compounds

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CID 67403439
(4S)-4-ethyl-1,1,1-trifluoro-5-methylsulfanylhexan-2-ol
CID 129153599
4-Ethyl-1,1,1-trifluoro-5-methylsulfanylhexan-2-ol
CID 129154393
4,4,4-Trifluoro-1-(thian-2-yl)butan-1-ol
CID 80622453
4-(4,4,4-Trifluorobutyl)thiolan-3-ol
CID 83191539
5,5,5-Trifluoro-1-(thian-4-yl)pentan-2-ol
CID 105104596
4,4,4-Trifluoro-1-(thiolan-3-yl)butan-1-ol
CID 105104715
4,4,4-Trifluoro-1-(2-methylthiolan-2-yl)butan-1-ol
CID 105104732
6,6,6-Trifluoro-1-(thian-4-yl)hexan-2-ol
CID 105120557
2-Fluoro-2-(thian-3-yl)ethanol
CID 105432509
2-Fluoro-3-(thian-3-yl)propan-1-ol
CID 105437754
2-Fluoro-3-(thian-4-yl)propan-1-ol
CID 105437755

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-1-(thian-3-yl)propan-2-ol?
The IUPAC name of 1,1-difluoro-1-(thian-3-yl)propan-2-ol (CID 105450117) is 1,1-difluoro-1-(thian-3-yl)propan-2-ol.
What is the SMILES notation for 1,1-difluoro-1-(thian-3-yl)propan-2-ol?
The canonical SMILES for 1,1-difluoro-1-(thian-3-yl)propan-2-ol is CC(O)C(F)(F)C1CCCSC1.
What is the InChIKey of 1,1-difluoro-1-(thian-3-yl)propan-2-ol?
The InChIKey is MRAPNYGMZXWGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2OS/c1-6(11)8(9,10)7-3-2-4-12-5-7/h6-7,11H,2-5H2,1H3.
What are the key properties of 1,1-difluoro-1-(thian-3-yl)propan-2-ol?
1,1-difluoro-1-(thian-3-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-3-yl)propan-2-ol is sourced from PubChem (CID 105450117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).