(3,5-difluorophenyl)-(2-methylthiolan-2-yl)methanone

C12H12F2OS — CID 81451026

IUPAC(3,5-difluorophenyl)-(2-methylthiolan-2-yl)methanone
SMILESCC1(C(=O)c2cc(F)cc(F)c2)CCCS1
InChIInChI=1S/C12H12F2OS/c1-12(3-2-4-16-12)11(15)8-5-9(13)7-10(14)6-8/h5-7H,2-4H2,1H3
InChIKeyUVVUXHOBAOARQT-UHFFFAOYSA-N
MW242.29 g/mol
LogP3.43
Rot. Bonds2

About (3,5-difluorophenyl)-(2-methylthiolan-2-yl)methanone

(3,5-difluorophenyl)-(2-methylthiolan-2-yl)methanone (PubChem CID 81451026) has the molecular formula C12H12F2OS and a molecular weight of 242.29 g/mol. Its IUPAC name is (3,5-difluorophenyl)-(2-methylthiolan-2-yl)methanone.

Molecular Properties

Compound Name(3,5-difluorophenyl)-(2-methylthiolan-2-yl)methanone
PubChem CID81451026
Molecular FormulaC12H12F2OS
Molecular Weight242.29 g/mol
Exact Mass242.06
IUPAC Name(3,5-difluorophenyl)-(2-methylthiolan-2-yl)methanone
SMILESCC1(C(=O)c2cc(F)cc(F)c2)CCCS1
InChIInChI=1S/C12H12F2OS/c1-12(3-2-4-16-12)11(15)8-5-9(13)7-10(14)6-8/h5-7H,2-4H2,1H3
InChIKeyUVVUXHOBAOARQT-UHFFFAOYSA-N
XLogP3.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-(2-methylthiolan-2-yl)methanone?
The IUPAC name of (3,5-difluorophenyl)-(2-methylthiolan-2-yl)methanone (CID 81451026) is (3,5-difluorophenyl)-(2-methylthiolan-2-yl)methanone.
What is the SMILES notation for (3,5-difluorophenyl)-(2-methylthiolan-2-yl)methanone?
The canonical SMILES for (3,5-difluorophenyl)-(2-methylthiolan-2-yl)methanone is CC1(C(=O)c2cc(F)cc(F)c2)CCCS1.
What is the InChIKey of (3,5-difluorophenyl)-(2-methylthiolan-2-yl)methanone?
The InChIKey is UVVUXHOBAOARQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2OS/c1-12(3-2-4-16-12)11(15)8-5-9(13)7-10(14)6-8/h5-7H,2-4H2,1H3.
What are the key properties of (3,5-difluorophenyl)-(2-methylthiolan-2-yl)methanone?
(3,5-difluorophenyl)-(2-methylthiolan-2-yl)methanone has a molecular weight of 242.29 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-(2-methylthiolan-2-yl)methanone is sourced from PubChem (CID 81451026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).