3-(2,2-difluoroethoxy)-1-(5-methylthiophen-2-yl)propan-1-one

C10H12F2O2S — CID 103147023

IUPAC3-(2,2-difluoroethoxy)-1-(5-methylthiophen-2-yl)propan-1-one
SMILESCc1ccc(C(=O)CCOCC(F)F)s1
InChIInChI=1S/C10H12F2O2S/c1-7-2-3-9(15-7)8(13)4-5-14-6-10(11)12/h2-3,10H,4-6H2,1H3
InChIKeyHTFAPOSFMSZNLQ-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.91
Rot. Bonds6

About 3-(2,2-difluoroethoxy)-1-(5-methylthiophen-2-yl)propan-1-one

3-(2,2-difluoroethoxy)-1-(5-methylthiophen-2-yl)propan-1-one (PubChem CID 103147023) has the molecular formula C10H12F2O2S and a molecular weight of 234.27 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1-(5-methylthiophen-2-yl)propan-1-one.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1-(5-methylthiophen-2-yl)propan-1-one
PubChem CID103147023
Molecular FormulaC10H12F2O2S
Molecular Weight234.27 g/mol
Exact Mass234.05
IUPAC Name3-(2,2-difluoroethoxy)-1-(5-methylthiophen-2-yl)propan-1-one
SMILESCc1ccc(C(=O)CCOCC(F)F)s1
InChIInChI=1S/C10H12F2O2S/c1-7-2-3-9(15-7)8(13)4-5-14-6-10(11)12/h2-3,10H,4-6H2,1H3
InChIKeyHTFAPOSFMSZNLQ-UHFFFAOYSA-N
XLogP2.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.91
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-(5-chlorothiophen-2-yl)-3-(2,2-difluoroethoxy)propan-1-one
CID 103147100
4-hydroxy-1-(5-methylthiophen-2-yl)butan-1-one
CID 11819730
4-amino-1-(5-methylthiophen-2-yl)pentan-1-one
CID 116571604
5-(5-methylthiophen-2-yl)-5-oxopentanoic acid
CID 2760078
6-(5-methylthiophen-2-yl)-6-oxohexanoic acid
CID 43446803
4-methoxy-4-methyl-1-(5-methylthiophen-2-yl)pentan-1-one
CID 103024423
(4S)-4,5-dihydroxy-1-(5-methylthiophen-2-yl)pentan-1-one
CID 149121842
3-(2,2-difluoroethoxy)-1-(3-fluoro-5-methylphenyl)propan-1-one
CID 103147239
3,3-dimethoxy-1-(5-methylthiophen-2-yl)propan-1-one
CID 115480651
1-(2,5-dibromothiophen-3-yl)-3-(2,2-difluoroethoxy)propan-1-one
CID 103206590
1-(5-tert-butylthiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103206792
3-(2,2-difluoroethoxy)-1-[4-(2-methylpropyl)phenyl]propan-1-one
CID 103206458

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-1-(5-methylthiophen-2-yl)propan-1-one?
The IUPAC name of 3-(2,2-difluoroethoxy)-1-(5-methylthiophen-2-yl)propan-1-one (CID 103147023) is 3-(2,2-difluoroethoxy)-1-(5-methylthiophen-2-yl)propan-1-one.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1-(5-methylthiophen-2-yl)propan-1-one?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1-(5-methylthiophen-2-yl)propan-1-one is Cc1ccc(C(=O)CCOCC(F)F)s1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1-(5-methylthiophen-2-yl)propan-1-one?
The InChIKey is HTFAPOSFMSZNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O2S/c1-7-2-3-9(15-7)8(13)4-5-14-6-10(11)12/h2-3,10H,4-6H2,1H3.
What are the key properties of 3-(2,2-difluoroethoxy)-1-(5-methylthiophen-2-yl)propan-1-one?
3-(2,2-difluoroethoxy)-1-(5-methylthiophen-2-yl)propan-1-one has a molecular weight of 234.27 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-1-(5-methylthiophen-2-yl)propan-1-one is sourced from PubChem (CID 103147023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).