2,2-difluoro-1-(2-methylthiolan-2-yl)ethanone

C7H10F2OS — CID 81450300

IUPAC2,2-difluoro-1-(2-methylthiolan-2-yl)ethanone
SMILESCC1(C(=O)C(F)F)CCCS1
InChIInChI=1S/C7H10F2OS/c1-7(3-2-4-11-7)5(10)6(8)9/h6H,2-4H2,1H3
InChIKeyVBWPTYRWOWGFCU-UHFFFAOYSA-N
MW180.22 g/mol
LogP2.11
Rot. Bonds2

About 2,2-difluoro-1-(2-methylthiolan-2-yl)ethanone

2,2-difluoro-1-(2-methylthiolan-2-yl)ethanone (PubChem CID 81450300) has the molecular formula C7H10F2OS and a molecular weight of 180.22 g/mol. Its IUPAC name is 2,2-difluoro-1-(2-methylthiolan-2-yl)ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-(2-methylthiolan-2-yl)ethanone
PubChem CID81450300
Molecular FormulaC7H10F2OS
Molecular Weight180.22 g/mol
Exact Mass180.04
IUPAC Name2,2-difluoro-1-(2-methylthiolan-2-yl)ethanone
SMILESCC1(C(=O)C(F)F)CCCS1
InChIInChI=1S/C7H10F2OS/c1-7(3-2-4-11-7)5(10)6(8)9/h6H,2-4H2,1H3
InChIKeyVBWPTYRWOWGFCU-UHFFFAOYSA-N
XLogP2.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(2-methylthiolan-2-yl)ethanone?
The IUPAC name of 2,2-difluoro-1-(2-methylthiolan-2-yl)ethanone (CID 81450300) is 2,2-difluoro-1-(2-methylthiolan-2-yl)ethanone.
What is the SMILES notation for 2,2-difluoro-1-(2-methylthiolan-2-yl)ethanone?
The canonical SMILES for 2,2-difluoro-1-(2-methylthiolan-2-yl)ethanone is CC1(C(=O)C(F)F)CCCS1.
What is the InChIKey of 2,2-difluoro-1-(2-methylthiolan-2-yl)ethanone?
The InChIKey is VBWPTYRWOWGFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2OS/c1-7(3-2-4-11-7)5(10)6(8)9/h6H,2-4H2,1H3.
What are the key properties of 2,2-difluoro-1-(2-methylthiolan-2-yl)ethanone?
2,2-difluoro-1-(2-methylthiolan-2-yl)ethanone has a molecular weight of 180.22 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(2-methylthiolan-2-yl)ethanone is sourced from PubChem (CID 81450300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).