[4-(difluoromethoxy)phenyl]-thiophen-3-ylmethanone

C12H8F2O2S — CID 114975163

IUPAC[4-(difluoromethoxy)phenyl]-thiophen-3-ylmethanone
SMILESO=C(c1ccc(OC(F)F)cc1)c1ccsc1
InChIInChI=1S/C12H8F2O2S/c13-12(14)16-10-3-1-8(2-4-10)11(15)9-5-6-17-7-9/h1-7,12H
InChIKeyXRBRFTMDBURCQS-UHFFFAOYSA-N
MW254.26 g/mol
LogP3.58
Rot. Bonds4

About [4-(difluoromethoxy)phenyl]-thiophen-3-ylmethanone

[4-(difluoromethoxy)phenyl]-thiophen-3-ylmethanone (PubChem CID 114975163) has the molecular formula C12H8F2O2S and a molecular weight of 254.26 g/mol. Its IUPAC name is [4-(difluoromethoxy)phenyl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[4-(difluoromethoxy)phenyl]-thiophen-3-ylmethanone
PubChem CID114975163
Molecular FormulaC12H8F2O2S
Molecular Weight254.26 g/mol
Exact Mass254.02
IUPAC Name[4-(difluoromethoxy)phenyl]-thiophen-3-ylmethanone
SMILESO=C(c1ccc(OC(F)F)cc1)c1ccsc1
InChIInChI=1S/C12H8F2O2S/c13-12(14)16-10-3-1-8(2-4-10)11(15)9-5-6-17-7-9/h1-7,12H
InChIKeyXRBRFTMDBURCQS-UHFFFAOYSA-N
XLogP3.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-propan-2-ylphenyl)-thiophen-3-ylmethanone
CID 43625096
[4-(difluoromethoxy)phenyl]-(2,6-difluorophenyl)methanone
CID 114972892
(5-chlorothiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanone
CID 43338874
[4-(difluoromethoxy)phenyl]-(2,5-dimethylthiophen-3-yl)methanone
CID 43339479
[4-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanone
CID 43160922
(R)-[4-(difluoromethoxy)phenyl]-thiophen-3-ylmethanamine
CID 171225773
3-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]thiophene
CID 63017182
[4-(4-fluorobenzoyl)phenyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 7931064
[4-(difluoromethoxy)phenyl]-(2-methylpyrazol-3-yl)methanone
CID 114972533
4-(difluoromethoxy)-N-hydroxybenzenecarboximidoyl chloride
CID 86155021
1-[4-(difluoromethoxy)phenyl]-3-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]urea
CID 95774476
1-[4-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropane-1,3-dione
CID 18175410

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)phenyl]-thiophen-3-ylmethanone?
The IUPAC name of [4-(difluoromethoxy)phenyl]-thiophen-3-ylmethanone (CID 114975163) is [4-(difluoromethoxy)phenyl]-thiophen-3-ylmethanone.
What is the SMILES notation for [4-(difluoromethoxy)phenyl]-thiophen-3-ylmethanone?
The canonical SMILES for [4-(difluoromethoxy)phenyl]-thiophen-3-ylmethanone is O=C(c1ccc(OC(F)F)cc1)c1ccsc1.
What is the InChIKey of [4-(difluoromethoxy)phenyl]-thiophen-3-ylmethanone?
The InChIKey is XRBRFTMDBURCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2O2S/c13-12(14)16-10-3-1-8(2-4-10)11(15)9-5-6-17-7-9/h1-7,12H.
What are the key properties of [4-(difluoromethoxy)phenyl]-thiophen-3-ylmethanone?
[4-(difluoromethoxy)phenyl]-thiophen-3-ylmethanone has a molecular weight of 254.26 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)phenyl]-thiophen-3-ylmethanone is sourced from PubChem (CID 114975163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).