1-(5-butylthiophen-2-yl)-2,2-difluoroethanone

C10H12F2OS — CID 164895301

IUPAC1-(5-butylthiophen-2-yl)-2,2-difluoroethanone
SMILESCCCCc1ccc(C(=O)C(F)F)s1
InChIInChI=1S/C10H12F2OS/c1-2-3-4-7-5-6-8(14-7)9(13)10(11)12/h5-6,10H,2-4H2,1H3
InChIKeyCKWAXZNMQUOLJB-UHFFFAOYSA-N
MW218.27 g/mol
LogP3.54
Rot. Bonds5

About 1-(5-butylthiophen-2-yl)-2,2-difluoroethanone

1-(5-butylthiophen-2-yl)-2,2-difluoroethanone (PubChem CID 164895301) has the molecular formula C10H12F2OS and a molecular weight of 218.27 g/mol. Its IUPAC name is 1-(5-butylthiophen-2-yl)-2,2-difluoroethanone.

Molecular Properties

Compound Name1-(5-butylthiophen-2-yl)-2,2-difluoroethanone
PubChem CID164895301
Molecular FormulaC10H12F2OS
Molecular Weight218.27 g/mol
Exact Mass218.06
IUPAC Name1-(5-butylthiophen-2-yl)-2,2-difluoroethanone
SMILESCCCCc1ccc(C(=O)C(F)F)s1
InChIInChI=1S/C10H12F2OS/c1-2-3-4-7-5-6-8(14-7)9(13)10(11)12/h5-6,10H,2-4H2,1H3
InChIKeyCKWAXZNMQUOLJB-UHFFFAOYSA-N
XLogP3.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-difluoro-1-[5-(trifluoromethyl)thiophen-2-yl]ethanone
CID 130894491
2-bromo-1-(5-dodecylthiophen-2-yl)ethanone
CID 102077651
methyl 2-[(5-butylthiophene-2-carbonyl)amino]acetate
CID 19427379
ethyl 5-hexylthiophene-2-carboxylate
CID 142697334
1-(5-ethylthiophen-2-yl)-2-methylpropan-1-one
CID 43131948
2-ethyl-1-(5-ethylthiophen-2-yl)butan-1-one
CID 43160928
methyl 5-propylthiophene-2-carboxylate
CID 14933665
1-(5-ethylthiophen-2-yl)pentan-1-one
CID 43160903
2,5-diheptylthiophene
CID 607114
5-[5-[4-[4-(5-hexylthiophen-2-yl)-N-[4-(5-hexylthiophen-2-yl)phenyl]anilino]phenyl]thiophen-2-yl]thiophene-2-carboxylic acid
CID 101136994
(2S)-3-(5-butylthiophen-2-yl)-2-methylpropan-1-ol
CID 15156705
butyl 5-(bromomethyl)thiophene-2-carboxylate
CID 90291128

Frequently Asked Questions

What is the IUPAC name of 1-(5-butylthiophen-2-yl)-2,2-difluoroethanone?
The IUPAC name of 1-(5-butylthiophen-2-yl)-2,2-difluoroethanone (CID 164895301) is 1-(5-butylthiophen-2-yl)-2,2-difluoroethanone.
What is the SMILES notation for 1-(5-butylthiophen-2-yl)-2,2-difluoroethanone?
The canonical SMILES for 1-(5-butylthiophen-2-yl)-2,2-difluoroethanone is CCCCc1ccc(C(=O)C(F)F)s1.
What is the InChIKey of 1-(5-butylthiophen-2-yl)-2,2-difluoroethanone?
The InChIKey is CKWAXZNMQUOLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2OS/c1-2-3-4-7-5-6-8(14-7)9(13)10(11)12/h5-6,10H,2-4H2,1H3.
What are the key properties of 1-(5-butylthiophen-2-yl)-2,2-difluoroethanone?
1-(5-butylthiophen-2-yl)-2,2-difluoroethanone has a molecular weight of 218.27 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-butylthiophen-2-yl)-2,2-difluoroethanone is sourced from PubChem (CID 164895301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).