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

C7H12F2OS — CID 105440134

IUPAC2,2-difluoro-3-(thiolan-3-yl)propan-1-ol
SMILESOCC(F)(F)CC1CCSC1
InChIInChI=1S/C7H12F2OS/c8-7(9,5-10)3-6-1-2-11-4-6/h6,10H,1-5H2
InChIKeyXKWNOQJPSPCXNK-UHFFFAOYSA-N
MW182.23 g/mol
LogP1.76
Rot. Bonds3

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

2,2-difluoro-3-(thiolan-3-yl)propan-1-ol (PubChem CID 105440134) has the molecular formula C7H12F2OS and a molecular weight of 182.23 g/mol. Its IUPAC name is 2,2-difluoro-3-(thiolan-3-yl)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-(thiolan-3-yl)propan-1-ol
PubChem CID105440134
Molecular FormulaC7H12F2OS
Molecular Weight182.23 g/mol
Exact Mass182.06
IUPAC Name2,2-difluoro-3-(thiolan-3-yl)propan-1-ol
SMILESOCC(F)(F)CC1CCSC1
InChIInChI=1S/C7H12F2OS/c8-7(9,5-10)3-6-1-2-11-4-6/h6,10H,1-5H2
InChIKeyXKWNOQJPSPCXNK-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(thiolan-3-yl)propan-1-ol?
The IUPAC name of 2,2-difluoro-3-(thiolan-3-yl)propan-1-ol (CID 105440134) is 2,2-difluoro-3-(thiolan-3-yl)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-(thiolan-3-yl)propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-(thiolan-3-yl)propan-1-ol is OCC(F)(F)CC1CCSC1.
What is the InChIKey of 2,2-difluoro-3-(thiolan-3-yl)propan-1-ol?
The InChIKey is XKWNOQJPSPCXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2OS/c8-7(9,5-10)3-6-1-2-11-4-6/h6,10H,1-5H2.
What are the key properties of 2,2-difluoro-3-(thiolan-3-yl)propan-1-ol?
2,2-difluoro-3-(thiolan-3-yl)propan-1-ol has a molecular weight of 182.23 g/mol, XLogP of 1.76, 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-3-yl)propan-1-ol is sourced from PubChem (CID 105440134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).