1-(2,2-difluoroethoxy)-5-thiophen-3-ylpentan-3-one

C11H14F2O2S — CID 103147032

IUPAC1-(2,2-difluoroethoxy)-5-thiophen-3-ylpentan-3-one
SMILESO=C(CCOCC(F)F)CCc1ccsc1
InChIInChI=1S/C11H14F2O2S/c12-11(13)7-15-5-3-10(14)2-1-9-4-6-16-8-9/h4,6,8,11H,1-3,5,7H2
InChIKeyFRFFWNREASQLJR-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.92
Rot. Bonds8

About 1-(2,2-difluoroethoxy)-5-thiophen-3-ylpentan-3-one

1-(2,2-difluoroethoxy)-5-thiophen-3-ylpentan-3-one (PubChem CID 103147032) has the molecular formula C11H14F2O2S and a molecular weight of 248.29 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)-5-thiophen-3-ylpentan-3-one.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)-5-thiophen-3-ylpentan-3-one
PubChem CID103147032
Molecular FormulaC11H14F2O2S
Molecular Weight248.29 g/mol
Exact Mass248.07
IUPAC Name1-(2,2-difluoroethoxy)-5-thiophen-3-ylpentan-3-one
SMILESO=C(CCOCC(F)F)CCc1ccsc1
InChIInChI=1S/C11H14F2O2S/c12-11(13)7-15-5-3-10(14)2-1-9-4-6-16-8-9/h4,6,8,11H,1-3,5,7H2
InChIKeyFRFFWNREASQLJR-UHFFFAOYSA-N
XLogP2.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-aminoethoxy)-4-thiophen-3-ylbutan-2-one
CID 116590981
[(1R)-1-carboxy-2-(2-thiophen-3-ylethoxy)ethyl]azanium
CID 102299625
1-(4-chlorophenyl)-4-(2,2-difluoroethoxy)butan-2-one
CID 103147131
1-(2,2-difluoroethoxy)-5-(2-methylpyrazol-3-yl)pentan-3-one
CID 103147232
N-[(2R)-1-methoxypropan-2-yl]-3-thiophen-3-ylpropanamide
CID 51725722
1-(cyclopropylamino)-5-thiophen-3-ylpentan-3-one
CID 116559357
1-(1,3-dioxolan-2-yl)-4-thiophen-3-ylbutan-2-one
CID 103543685
2-amino-3-methoxy-N-(2-thiophen-3-ylethyl)propanamide;hydrochloride
CID 120985605
1-(2,2-difluoroethoxy)-6-methoxyhexan-3-one
CID 103147119
2-thiophen-3-ylethyl 2-bromo-2-methylpropanoate
CID 86077032
2-(4-fluorophenoxy)-N'-(3-thiophen-3-ylpropanoyl)propanehydrazide
CID 43017930
2-[3-(2-thiophen-3-ylethoxy)propanoylamino]prop-2-enoic acid
CID 101213474

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxy)-5-thiophen-3-ylpentan-3-one?
The IUPAC name of 1-(2,2-difluoroethoxy)-5-thiophen-3-ylpentan-3-one (CID 103147032) is 1-(2,2-difluoroethoxy)-5-thiophen-3-ylpentan-3-one.
What is the SMILES notation for 1-(2,2-difluoroethoxy)-5-thiophen-3-ylpentan-3-one?
The canonical SMILES for 1-(2,2-difluoroethoxy)-5-thiophen-3-ylpentan-3-one is O=C(CCOCC(F)F)CCc1ccsc1.
What is the InChIKey of 1-(2,2-difluoroethoxy)-5-thiophen-3-ylpentan-3-one?
The InChIKey is FRFFWNREASQLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O2S/c12-11(13)7-15-5-3-10(14)2-1-9-4-6-16-8-9/h4,6,8,11H,1-3,5,7H2.
What are the key properties of 1-(2,2-difluoroethoxy)-5-thiophen-3-ylpentan-3-one?
1-(2,2-difluoroethoxy)-5-thiophen-3-ylpentan-3-one has a molecular weight of 248.29 g/mol, XLogP of 2.92, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)-5-thiophen-3-ylpentan-3-one is sourced from PubChem (CID 103147032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).