(3,3-difluoropiperidin-1-yl)-(4-ethyl-5-methylthiophen-2-yl)methanone

C13H17F2NOS — CID 155571966

IUPAC(3,3-difluoropiperidin-1-yl)-(4-ethyl-5-methylthiophen-2-yl)methanone
SMILESCCc1cc(C(=O)N2CCCC(F)(F)C2)sc1C
InChIInChI=1S/C13H17F2NOS/c1-3-10-7-11(18-9(10)2)12(17)16-6-4-5-13(14,15)8-16/h7H,3-6,8H2,1-2H3
InChIKeyXOHYPJBNZHOSRP-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.49
Rot. Bonds2

About (3,3-difluoropiperidin-1-yl)-(4-ethyl-5-methylthiophen-2-yl)methanone

(3,3-difluoropiperidin-1-yl)-(4-ethyl-5-methylthiophen-2-yl)methanone (PubChem CID 155571966) has the molecular formula C13H17F2NOS and a molecular weight of 273.35 g/mol. Its IUPAC name is (3,3-difluoropiperidin-1-yl)-(4-ethyl-5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(3,3-difluoropiperidin-1-yl)-(4-ethyl-5-methylthiophen-2-yl)methanone
PubChem CID155571966
Molecular FormulaC13H17F2NOS
Molecular Weight273.35 g/mol
Exact Mass273.10
IUPAC Name(3,3-difluoropiperidin-1-yl)-(4-ethyl-5-methylthiophen-2-yl)methanone
SMILESCCc1cc(C(=O)N2CCCC(F)(F)C2)sc1C
InChIInChI=1S/C13H17F2NOS/c1-3-10-7-11(18-9(10)2)12(17)16-6-4-5-13(14,15)8-16/h7H,3-6,8H2,1-2H3
InChIKeyXOHYPJBNZHOSRP-UHFFFAOYSA-N
XLogP3.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluoropiperidin-1-yl)-(4-ethyl-5-methylthiophen-2-yl)methanone?
The IUPAC name of (3,3-difluoropiperidin-1-yl)-(4-ethyl-5-methylthiophen-2-yl)methanone (CID 155571966) is (3,3-difluoropiperidin-1-yl)-(4-ethyl-5-methylthiophen-2-yl)methanone.
What is the SMILES notation for (3,3-difluoropiperidin-1-yl)-(4-ethyl-5-methylthiophen-2-yl)methanone?
The canonical SMILES for (3,3-difluoropiperidin-1-yl)-(4-ethyl-5-methylthiophen-2-yl)methanone is CCc1cc(C(=O)N2CCCC(F)(F)C2)sc1C.
What is the InChIKey of (3,3-difluoropiperidin-1-yl)-(4-ethyl-5-methylthiophen-2-yl)methanone?
The InChIKey is XOHYPJBNZHOSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NOS/c1-3-10-7-11(18-9(10)2)12(17)16-6-4-5-13(14,15)8-16/h7H,3-6,8H2,1-2H3.
What are the key properties of (3,3-difluoropiperidin-1-yl)-(4-ethyl-5-methylthiophen-2-yl)methanone?
(3,3-difluoropiperidin-1-yl)-(4-ethyl-5-methylthiophen-2-yl)methanone has a molecular weight of 273.35 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoropiperidin-1-yl)-(4-ethyl-5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 155571966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).