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

C8H14F2OS — CID 105450113

IUPAC2,2-difluoro-3-(thian-3-yl)propan-1-ol
SMILESOCC(F)(F)CC1CCCSC1
InChIInChI=1S/C8H14F2OS/c9-8(10,6-11)4-7-2-1-3-12-5-7/h7,11H,1-6H2
InChIKeyBZAQWUKLLUQAEG-UHFFFAOYSA-N
MW196.26 g/mol
LogP2.15
Rot. Bonds3

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

2,2-difluoro-3-(thian-3-yl)propan-1-ol (PubChem CID 105450113) has the molecular formula C8H14F2OS and a molecular weight of 196.26 g/mol. Its IUPAC name is 2,2-difluoro-3-(thian-3-yl)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-(thian-3-yl)propan-1-ol
PubChem CID105450113
Molecular FormulaC8H14F2OS
Molecular Weight196.26 g/mol
Exact Mass196.07
IUPAC Name2,2-difluoro-3-(thian-3-yl)propan-1-ol
SMILESOCC(F)(F)CC1CCCSC1
InChIInChI=1S/C8H14F2OS/c9-8(10,6-11)4-7-2-1-3-12-5-7/h7,11H,1-6H2
InChIKeyBZAQWUKLLUQAEG-UHFFFAOYSA-N
XLogP2.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

3-(Trifluoromethyl)tetrahydro-2 H-thiopyran-2-ol
CID 162787536
[4-(3,3-Difluorobutylsulfanylmethyl)cyclohexyl]methanol
CID 58329778
[4-(3,3,3-Trifluoropropylsulfanylmethyl)cyclohexyl]methanol
CID 67248875
2-[5-(Trifluoromethyl)thiolan-3-yl]ethanol
CID 169666439
4-(4,4,4-Trifluorobutyl)thiolan-3-ol
CID 83191539
5,5,5-Trifluoro-1-(thian-4-yl)pentan-2-ol
CID 105104596
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
1-Fluoro-1-(thian-3-yl)propan-2-ol
CID 105437758
2-(3,3-Difluorothian-4-yl)ethanol
CID 105440133

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(thian-3-yl)propan-1-ol?
The IUPAC name of 2,2-difluoro-3-(thian-3-yl)propan-1-ol (CID 105450113) is 2,2-difluoro-3-(thian-3-yl)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-(thian-3-yl)propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-(thian-3-yl)propan-1-ol is OCC(F)(F)CC1CCCSC1.
What is the InChIKey of 2,2-difluoro-3-(thian-3-yl)propan-1-ol?
The InChIKey is BZAQWUKLLUQAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2OS/c9-8(10,6-11)4-7-2-1-3-12-5-7/h7,11H,1-6H2.
What are the key properties of 2,2-difluoro-3-(thian-3-yl)propan-1-ol?
2,2-difluoro-3-(thian-3-yl)propan-1-ol has a molecular weight of 196.26 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(thian-3-yl)propan-1-ol is sourced from PubChem (CID 105450113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).