[4-(1,1-difluoroethyl)thian-4-yl]methanol

C8H14F2OS — CID 84774021

IUPAC[4-(1,1-difluoroethyl)thian-4-yl]methanol
SMILESCC(F)(F)C1(CO)CCSCC1
InChIInChI=1S/C8H14F2OS/c1-7(9,10)8(6-11)2-4-12-5-3-8/h11H,2-6H2,1H3
InChIKeyWMEROJKGOVZUCG-UHFFFAOYSA-N
MW196.26 g/mol
LogP2.15
Rot. Bonds2

About [4-(1,1-difluoroethyl)thian-4-yl]methanol

[4-(1,1-difluoroethyl)thian-4-yl]methanol (PubChem CID 84774021) has the molecular formula C8H14F2OS and a molecular weight of 196.26 g/mol. Its IUPAC name is [4-(1,1-difluoroethyl)thian-4-yl]methanol.

Molecular Properties

Compound Name[4-(1,1-difluoroethyl)thian-4-yl]methanol
PubChem CID84774021
Molecular FormulaC8H14F2OS
Molecular Weight196.26 g/mol
Exact Mass196.07
IUPAC Name[4-(1,1-difluoroethyl)thian-4-yl]methanol
SMILESCC(F)(F)C1(CO)CCSCC1
InChIInChI=1S/C8H14F2OS/c1-7(9,10)8(6-11)2-4-12-5-3-8/h11H,2-6H2,1H3
InChIKeyWMEROJKGOVZUCG-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

(4-Fluorothian-4-yl)methanol
CID 84020828
[4-(Fluoromethyl)thian-4-yl]methanol
CID 84764831
[4-(Difluoromethyl)thian-4-yl]methanol
CID 84768778
[4-(2-Fluoropropan-2-yl)thian-4-yl]methanol
CID 84772488
[4-(1,1-Difluoroethyl)-1,1-dioxothian-4-yl]methanol
CID 84792195
2-(3,3-Difluorothian-4-yl)ethanol
CID 105440133
2,2-Difluoro-2-(thian-4-yl)ethanol
CID 105440137
(3,3-Difluoro-4-methyl-1,1-dioxothian-4-yl)methanol
CID 105467498
(3,3-Difluorothian-4-yl)methanol
CID 105530144
2,2-Dimethyl-4-(trifluoromethylsulfanyl)butan-1-ol
CID 116627867
2,2-Diethyl-4-(trifluoromethylsulfanyl)butan-1-ol
CID 116627880
2-Ethyl-2-methyl-4-(trifluoromethylsulfanyl)butan-1-ol
CID 116627884

Frequently Asked Questions

What is the IUPAC name of [4-(1,1-difluoroethyl)thian-4-yl]methanol?
The IUPAC name of [4-(1,1-difluoroethyl)thian-4-yl]methanol (CID 84774021) is [4-(1,1-difluoroethyl)thian-4-yl]methanol.
What is the SMILES notation for [4-(1,1-difluoroethyl)thian-4-yl]methanol?
The canonical SMILES for [4-(1,1-difluoroethyl)thian-4-yl]methanol is CC(F)(F)C1(CO)CCSCC1.
What is the InChIKey of [4-(1,1-difluoroethyl)thian-4-yl]methanol?
The InChIKey is WMEROJKGOVZUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2OS/c1-7(9,10)8(6-11)2-4-12-5-3-8/h11H,2-6H2,1H3.
What are the key properties of [4-(1,1-difluoroethyl)thian-4-yl]methanol?
[4-(1,1-difluoroethyl)thian-4-yl]methanol 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-(1,1-difluoroethyl)thian-4-yl]methanol is sourced from PubChem (CID 84774021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).