[2-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanone

C14H12F2O2S — CID 43338849

IUPAC[2-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanone
SMILESCCc1ccc(C(=O)c2ccccc2OC(F)F)s1
InChIInChI=1S/C14H12F2O2S/c1-2-9-7-8-12(19-9)13(17)10-5-3-4-6-11(10)18-14(15)16/h3-8,14H,2H2,1H3
InChIKeyOKNYGHSDENVPJG-UHFFFAOYSA-N
MW282.31 g/mol
LogP4.14
Rot. Bonds5

About [2-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanone

[2-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanone (PubChem CID 43338849) has the molecular formula C14H12F2O2S and a molecular weight of 282.31 g/mol. Its IUPAC name is [2-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[2-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanone
PubChem CID43338849
Molecular FormulaC14H12F2O2S
Molecular Weight282.31 g/mol
Exact Mass282.05
IUPAC Name[2-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanone
SMILESCCc1ccc(C(=O)c2ccccc2OC(F)F)s1
InChIInChI=1S/C14H12F2O2S/c1-2-9-7-8-12(19-9)13(17)10-5-3-4-6-11(10)18-14(15)16/h3-8,14H,2H2,1H3
InChIKeyOKNYGHSDENVPJG-UHFFFAOYSA-N
XLogP4.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanone
CID 43160922
(3-chloro-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanone
CID 81265163
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
(4-bromo-2-methoxyphenyl)-(5-ethylthiophen-2-yl)methanone
CID 113295986
[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 18100897
3-chloro-1-[2-(difluoromethoxy)phenyl]propan-1-one
CID 175668326
1-[2-(difluoromethoxy)phenyl]-4-methylpentan-1-one
CID 114966814
1-[2-(difluoromethoxy)phenyl]-2-phenylethanone
CID 61079927
1-(5-ethylthiophen-2-yl)-2-methylpropan-1-one
CID 43131948
2-(difluoromethoxy)-N-propylbenzamide
CID 60654909
[2-(difluoromethoxy)phenyl]-(2,3-difluoro-4-methylphenyl)methanone
CID 107515050
[2-(difluoromethoxy)phenyl]-(5-methylthiophen-3-yl)methanone
CID 114976117

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanone?
The IUPAC name of [2-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanone (CID 43338849) is [2-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanone.
What is the SMILES notation for [2-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanone?
The canonical SMILES for [2-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanone is CCc1ccc(C(=O)c2ccccc2OC(F)F)s1.
What is the InChIKey of [2-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanone?
The InChIKey is OKNYGHSDENVPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2O2S/c1-2-9-7-8-12(19-9)13(17)10-5-3-4-6-11(10)18-14(15)16/h3-8,14H,2H2,1H3.
What are the key properties of [2-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanone?
[2-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanone has a molecular weight of 282.31 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanone is sourced from PubChem (CID 43338849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).