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

C7H12F2OS — CID 105440135

IUPAC2,2-difluoro-3-(thiolan-2-yl)propan-1-ol
SMILESOCC(F)(F)CC1CCCS1
InChIInChI=1S/C7H12F2OS/c8-7(9,5-10)4-6-2-1-3-11-6/h6,10H,1-5H2
InChIKeySUPMHKFNRKNBDR-UHFFFAOYSA-N
MW182.23 g/mol
LogP1.90
Rot. Bonds3

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

2,2-difluoro-3-(thiolan-2-yl)propan-1-ol (PubChem CID 105440135) has the molecular formula C7H12F2OS and a molecular weight of 182.23 g/mol. Its IUPAC name is 2,2-difluoro-3-(thiolan-2-yl)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-(thiolan-2-yl)propan-1-ol
PubChem CID105440135
Molecular FormulaC7H12F2OS
Molecular Weight182.23 g/mol
Exact Mass182.06
IUPAC Name2,2-difluoro-3-(thiolan-2-yl)propan-1-ol
SMILESOCC(F)(F)CC1CCCS1
InChIInChI=1S/C7H12F2OS/c8-7(9,5-10)4-6-2-1-3-11-6/h6,10H,1-5H2
InChIKeySUPMHKFNRKNBDR-UHFFFAOYSA-N
XLogP1.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-[(4,4,5,5,5-Pentafluoropentyl)sulfanyl]nonan-1-ol
CID 53486377
5-(Trifluoromethylsulfanyl)hexan-1-ol
CID 122224638
3-Hydroxy-2-hydroxymethyl-5-(trifluoromethyl)thiolane
CID 129877446
S-trifluoromethyl-11-mercaptoundecan-1-ol
CID 86637529
11-(3,3,3-Trifluoropropylsulfanyl)undecan-1-ol
CID 86637533
6-(Trifluoromethylsulfanyl)hexan-1-ol
CID 118612434
10-(4,4,5,5,5-Pentafluoropentylsulfanyl)decan-1-ol
CID 142045722
(4-Fluoro-5-methylthiolan-2-yl)methanol
CID 144573148
[(2S)-4,4-difluorothiolan-2-yl]methanol
CID 146516500
(4,4,5,5-Tetrafluoro-tetrahydro-thiophen-2-yl)-methanol
CID 23233775
[(2S)-3,3-difluorothiolan-2-yl]methanol
CID 71372729
(3,3-Difluorotetrahydro-2-thiophenyl)methanol
CID 78063983

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(thiolan-2-yl)propan-1-ol?
The IUPAC name of 2,2-difluoro-3-(thiolan-2-yl)propan-1-ol (CID 105440135) is 2,2-difluoro-3-(thiolan-2-yl)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-(thiolan-2-yl)propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-(thiolan-2-yl)propan-1-ol is OCC(F)(F)CC1CCCS1.
What is the InChIKey of 2,2-difluoro-3-(thiolan-2-yl)propan-1-ol?
The InChIKey is SUPMHKFNRKNBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2OS/c8-7(9,5-10)4-6-2-1-3-11-6/h6,10H,1-5H2.
What are the key properties of 2,2-difluoro-3-(thiolan-2-yl)propan-1-ol?
2,2-difluoro-3-(thiolan-2-yl)propan-1-ol has a molecular weight of 182.23 g/mol, XLogP of 1.90, 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-(thiolan-2-yl)propan-1-ol is sourced from PubChem (CID 105440135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).