(3,3-difluorocyclobutyl)-(3-methoxythiophen-2-yl)methanone

C10H10F2O2S — CID 130979290

IUPAC(3,3-difluorocyclobutyl)-(3-methoxythiophen-2-yl)methanone
SMILESCOc1ccsc1C(=O)C1CC(F)(F)C1
InChIInChI=1S/C10H10F2O2S/c1-14-7-2-3-15-9(7)8(13)6-4-10(11,12)5-6/h2-3,6H,4-5H2,1H3
InChIKeyHEPNBDOYJCRORF-UHFFFAOYSA-N
MW232.25 g/mol
LogP2.98
Rot. Bonds3

About (3,3-difluorocyclobutyl)-(3-methoxythiophen-2-yl)methanone

(3,3-difluorocyclobutyl)-(3-methoxythiophen-2-yl)methanone (PubChem CID 130979290) has the molecular formula C10H10F2O2S and a molecular weight of 232.25 g/mol. Its IUPAC name is (3,3-difluorocyclobutyl)-(3-methoxythiophen-2-yl)methanone.

Molecular Properties

Compound Name(3,3-difluorocyclobutyl)-(3-methoxythiophen-2-yl)methanone
PubChem CID130979290
Molecular FormulaC10H10F2O2S
Molecular Weight232.25 g/mol
Exact Mass232.04
IUPAC Name(3,3-difluorocyclobutyl)-(3-methoxythiophen-2-yl)methanone
SMILESCOc1ccsc1C(=O)C1CC(F)(F)C1
InChIInChI=1S/C10H10F2O2S/c1-14-7-2-3-15-9(7)8(13)6-4-10(11,12)5-6/h2-3,6H,4-5H2,1H3
InChIKeyHEPNBDOYJCRORF-UHFFFAOYSA-N
XLogP2.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclobutyl)-(3-methoxythiophen-2-yl)methanone?
The IUPAC name of (3,3-difluorocyclobutyl)-(3-methoxythiophen-2-yl)methanone (CID 130979290) is (3,3-difluorocyclobutyl)-(3-methoxythiophen-2-yl)methanone.
What is the SMILES notation for (3,3-difluorocyclobutyl)-(3-methoxythiophen-2-yl)methanone?
The canonical SMILES for (3,3-difluorocyclobutyl)-(3-methoxythiophen-2-yl)methanone is COc1ccsc1C(=O)C1CC(F)(F)C1.
What is the InChIKey of (3,3-difluorocyclobutyl)-(3-methoxythiophen-2-yl)methanone?
The InChIKey is HEPNBDOYJCRORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O2S/c1-14-7-2-3-15-9(7)8(13)6-4-10(11,12)5-6/h2-3,6H,4-5H2,1H3.
What are the key properties of (3,3-difluorocyclobutyl)-(3-methoxythiophen-2-yl)methanone?
(3,3-difluorocyclobutyl)-(3-methoxythiophen-2-yl)methanone has a molecular weight of 232.25 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclobutyl)-(3-methoxythiophen-2-yl)methanone is sourced from PubChem (CID 130979290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).