2,2-difluoro-3-(thian-4-yl)propan-1-ol

C8H14F2OS — CID 105450114

IUPAC2,2-difluoro-3-(thian-4-yl)propan-1-ol
SMILESOCC(F)(F)CC1CCSCC1
InChIInChI=1S/C8H14F2OS/c9-8(10,6-11)5-7-1-3-12-4-2-7/h7,11H,1-6H2
InChIKeyDNGKUWXUOSGGNQ-UHFFFAOYSA-N
MW196.26 g/mol
LogP2.15
Rot. Bonds3

About 2,2-difluoro-3-(thian-4-yl)propan-1-ol

2,2-difluoro-3-(thian-4-yl)propan-1-ol (PubChem CID 105450114) has the molecular formula C8H14F2OS and a molecular weight of 196.26 g/mol. Its IUPAC name is 2,2-difluoro-3-(thian-4-yl)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-(thian-4-yl)propan-1-ol
PubChem CID105450114
Molecular FormulaC8H14F2OS
Molecular Weight196.26 g/mol
Exact Mass196.07
IUPAC Name2,2-difluoro-3-(thian-4-yl)propan-1-ol
SMILESOCC(F)(F)CC1CCSCC1
InChIInChI=1S/C8H14F2OS/c9-8(10,6-11)5-7-1-3-12-4-2-7/h7,11H,1-6H2
InChIKeyDNGKUWXUOSGGNQ-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

Analyze 2,2-difluoro-3-(thian-4-yl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(Trifluoromethyl)tetrahydro-2 H-thiopyran-2-ol
CID 162787536
[4-(3,3,3-Trifluoropropylsulfanylmethyl)cyclohexyl]methanol
CID 67248875
[(2S,4R,5S)-5-methyl-4-(trifluoromethyl)thiolan-2-yl]methanol
CID 68034780
(4S,5S)-5-ethyl-3,3-difluoro-4-methylthiolan-2-ol
CID 118119213
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-(3-Fluorothian-4-yl)ethanol
CID 105432506
2-Fluoro-2-(thian-3-yl)ethanol
CID 105432509
2-Fluoro-2-(thian-4-yl)ethanol
CID 105432510
2-Fluoro-3-(thian-3-yl)propan-1-ol
CID 105437754

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(thian-4-yl)propan-1-ol?
The IUPAC name of 2,2-difluoro-3-(thian-4-yl)propan-1-ol (CID 105450114) is 2,2-difluoro-3-(thian-4-yl)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-(thian-4-yl)propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-(thian-4-yl)propan-1-ol is OCC(F)(F)CC1CCSCC1.
What is the InChIKey of 2,2-difluoro-3-(thian-4-yl)propan-1-ol?
The InChIKey is DNGKUWXUOSGGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2OS/c9-8(10,6-11)5-7-1-3-12-4-2-7/h7,11H,1-6H2.
What are the key properties of 2,2-difluoro-3-(thian-4-yl)propan-1-ol?
2,2-difluoro-3-(thian-4-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-4-yl)propan-1-ol is sourced from PubChem (CID 105450114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).