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

C14H12F2O2S — CID 43160922

IUPAC[4-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanone
SMILESCCc1ccc(C(=O)c2ccc(OC(F)F)cc2)s1
InChIInChI=1S/C14H12F2O2S/c1-2-11-7-8-12(19-11)13(17)9-3-5-10(6-4-9)18-14(15)16/h3-8,14H,2H2,1H3
InChIKeyJUTOEZZIWDFYEC-UHFFFAOYSA-N
MW282.31 g/mol
LogP4.14
Rot. Bonds5

About [4-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanone

[4-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanone (PubChem CID 43160922) has the molecular formula C14H12F2O2S and a molecular weight of 282.31 g/mol. Its IUPAC name is [4-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanone
PubChem CID43160922
Molecular FormulaC14H12F2O2S
Molecular Weight282.31 g/mol
Exact Mass282.05
IUPAC Name[4-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanone
SMILESCCc1ccc(C(=O)c2ccc(OC(F)F)cc2)s1
InChIInChI=1S/C14H12F2O2S/c1-2-11-7-8-12(19-11)13(17)9-3-5-10(6-4-9)18-14(15)16/h3-8,14H,2H2,1H3
InChIKeyJUTOEZZIWDFYEC-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

(5-ethylthiophen-2-yl)-(4-methoxyphenyl)methanone
CID 43160962
(5-chlorothiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanone
CID 43338874
[2-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanone
CID 43338849
(5-ethylthiophen-2-yl)-thiophen-3-ylmethanone
CID 13356126
[4-(difluoromethoxy)phenyl]-(2,5-dimethylthiophen-3-yl)methanone
CID 43339479
(5-ethylthiophen-2-yl)-(5-methoxy-3-pyridinyl)methanone
CID 115793463
[4-(difluoromethoxy)phenyl]-thiophen-3-ylmethanone
CID 114975163
methyl 2-[5-(4-propan-2-ylbenzoyl)thiophen-2-yl]acetate
CID 82886030
[4-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanamine
CID 43322441
1-(5-ethylthiophen-2-yl)-2-methylpropan-1-one
CID 43131948
[4-(difluoromethoxy)phenyl]-(2,6-difluorophenyl)methanone
CID 114972892
[4-(difluoromethoxy)phenyl]-(2-methylpyrazol-3-yl)methanone
CID 114972533

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanone?
The IUPAC name of [4-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanone (CID 43160922) is [4-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanone.
What is the SMILES notation for [4-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanone?
The canonical SMILES for [4-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanone is CCc1ccc(C(=O)c2ccc(OC(F)F)cc2)s1.
What is the InChIKey of [4-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanone?
The InChIKey is JUTOEZZIWDFYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2O2S/c1-2-11-7-8-12(19-11)13(17)9-3-5-10(6-4-9)18-14(15)16/h3-8,14H,2H2,1H3.
What are the key properties of [4-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanone?
[4-(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 [4-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanone is sourced from PubChem (CID 43160922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).