[4-(difluoromethoxy)phenyl]-(2,5-dimethylthiophen-3-yl)methanone

C14H12F2O2S — CID 43339479

IUPAC[4-(difluoromethoxy)phenyl]-(2,5-dimethylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)c2ccc(OC(F)F)cc2)c(C)s1
InChIInChI=1S/C14H12F2O2S/c1-8-7-12(9(2)19-8)13(17)10-3-5-11(6-4-10)18-14(15)16/h3-7,14H,1-2H3
InChIKeyYGZMLWYHQFXLAW-UHFFFAOYSA-N
MW282.31 g/mol
LogP4.20
Rot. Bonds4

About [4-(difluoromethoxy)phenyl]-(2,5-dimethylthiophen-3-yl)methanone

[4-(difluoromethoxy)phenyl]-(2,5-dimethylthiophen-3-yl)methanone (PubChem CID 43339479) has the molecular formula C14H12F2O2S and a molecular weight of 282.31 g/mol. Its IUPAC name is [4-(difluoromethoxy)phenyl]-(2,5-dimethylthiophen-3-yl)methanone.

Molecular Properties

Compound Name[4-(difluoromethoxy)phenyl]-(2,5-dimethylthiophen-3-yl)methanone
PubChem CID43339479
Molecular FormulaC14H12F2O2S
Molecular Weight282.31 g/mol
Exact Mass282.05
IUPAC Name[4-(difluoromethoxy)phenyl]-(2,5-dimethylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)c2ccc(OC(F)F)cc2)c(C)s1
InChIInChI=1S/C14H12F2O2S/c1-8-7-12(9(2)19-8)13(17)10-3-5-11(6-4-10)18-14(15)16/h3-7,14H,1-2H3
InChIKeyYGZMLWYHQFXLAW-UHFFFAOYSA-N
XLogP4.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dimethylthiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 43339470
(2,5-dimethylthiophen-3-yl)-(4-ethylphenyl)methanone
CID 43161390
(3,4-difluorophenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 43161396
(2,5-dimethylthiophen-3-yl)-naphthalen-2-ylmethanone
CID 43339492
(2,5-dimethylthiophen-3-yl)-(4-methylsulfonylphenyl)methanone
CID 43339488
[4-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanone
CID 43160922
(5-chlorothiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanone
CID 43338874
[4-(difluoromethoxy)phenyl]-thiophen-3-ylmethanone
CID 114975163
[4-(difluoromethoxy)phenyl]-(2,6-difluorophenyl)methanone
CID 114972892
(3-chloro-4-iodophenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 103219617
(2,5-dimethylthiophen-3-yl)-(1H-pyrazol-4-yl)methanone
CID 114989358
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2,5-dimethylthiophene-3-carboxylate
CID 7648607

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)phenyl]-(2,5-dimethylthiophen-3-yl)methanone?
The IUPAC name of [4-(difluoromethoxy)phenyl]-(2,5-dimethylthiophen-3-yl)methanone (CID 43339479) is [4-(difluoromethoxy)phenyl]-(2,5-dimethylthiophen-3-yl)methanone.
What is the SMILES notation for [4-(difluoromethoxy)phenyl]-(2,5-dimethylthiophen-3-yl)methanone?
The canonical SMILES for [4-(difluoromethoxy)phenyl]-(2,5-dimethylthiophen-3-yl)methanone is Cc1cc(C(=O)c2ccc(OC(F)F)cc2)c(C)s1.
What is the InChIKey of [4-(difluoromethoxy)phenyl]-(2,5-dimethylthiophen-3-yl)methanone?
The InChIKey is YGZMLWYHQFXLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2O2S/c1-8-7-12(9(2)19-8)13(17)10-3-5-11(6-4-10)18-14(15)16/h3-7,14H,1-2H3.
What are the key properties of [4-(difluoromethoxy)phenyl]-(2,5-dimethylthiophen-3-yl)methanone?
[4-(difluoromethoxy)phenyl]-(2,5-dimethylthiophen-3-yl)methanone has a molecular weight of 282.31 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)phenyl]-(2,5-dimethylthiophen-3-yl)methanone is sourced from PubChem (CID 43339479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).