1-(1,1-difluoropropyl)-4-ethylsulfonylbenzene

C11H14F2O2S — CID 116841298

IUPAC1-(1,1-difluoropropyl)-4-ethylsulfonylbenzene
SMILESCCC(F)(F)c1ccc(S(=O)(=O)CC)cc1
InChIInChI=1S/C11H14F2O2S/c1-3-11(12,13)9-5-7-10(8-6-9)16(14,15)4-2/h5-8H,3-4H2,1-2H3
InChIKeyKEYAYOHRGDNGJV-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.98
Rot. Bonds4

About 1-(1,1-difluoropropyl)-4-ethylsulfonylbenzene

1-(1,1-difluoropropyl)-4-ethylsulfonylbenzene (PubChem CID 116841298) has the molecular formula C11H14F2O2S and a molecular weight of 248.29 g/mol. Its IUPAC name is 1-(1,1-difluoropropyl)-4-ethylsulfonylbenzene.

Molecular Properties

Compound Name1-(1,1-difluoropropyl)-4-ethylsulfonylbenzene
PubChem CID116841298
Molecular FormulaC11H14F2O2S
Molecular Weight248.29 g/mol
Exact Mass248.07
IUPAC Name1-(1,1-difluoropropyl)-4-ethylsulfonylbenzene
SMILESCCC(F)(F)c1ccc(S(=O)(=O)CC)cc1
InChIInChI=1S/C11H14F2O2S/c1-3-11(12,13)9-5-7-10(8-6-9)16(14,15)4-2/h5-8H,3-4H2,1-2H3
InChIKeyKEYAYOHRGDNGJV-UHFFFAOYSA-N
XLogP2.98
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1,1-difluoropropyl)benzenesulfonyl chloride
CID 87189843
2-(4-ethylsulfonylphenyl)-2-methylpropan-1-amine
CID 82477614
4-ethylsulfonyl-N-(2,2,2-trifluoroethyl)aniline
CID 43453365
ethane;1-ethylsulfonyl-4-methylbenzene
CID 142583091
[4-(1,1-difluoropropyl)phenyl]methanamine
CID 67499237
[3,5-bis(trifluoromethyl)phenyl] 4-ethylsulfonylbenzenesulfonate
CID 55908333
N-(2,2-dimethylbutyl)-4-ethylsulfonylaniline
CID 103462508
2-ethyl-5-[2-(4-ethylsulfonylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzenesulfonic acid
CID 153313530
1-(1,1-difluoroethyl)-4-methylsulfonylbenzene
CID 116841572
4-ethylsulfonyl-N-(2,2,3,3-tetrafluoropropyl)aniline
CID 106294314
1-(4-ethylsulfonylphenyl)-2-methylpropan-2-ol
CID 116928680
1-(difluoromethoxy)-4-ethylsulfonylbenzene
CID 71207645

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoropropyl)-4-ethylsulfonylbenzene?
The IUPAC name of 1-(1,1-difluoropropyl)-4-ethylsulfonylbenzene (CID 116841298) is 1-(1,1-difluoropropyl)-4-ethylsulfonylbenzene.
What is the SMILES notation for 1-(1,1-difluoropropyl)-4-ethylsulfonylbenzene?
The canonical SMILES for 1-(1,1-difluoropropyl)-4-ethylsulfonylbenzene is CCC(F)(F)c1ccc(S(=O)(=O)CC)cc1.
What is the InChIKey of 1-(1,1-difluoropropyl)-4-ethylsulfonylbenzene?
The InChIKey is KEYAYOHRGDNGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O2S/c1-3-11(12,13)9-5-7-10(8-6-9)16(14,15)4-2/h5-8H,3-4H2,1-2H3.
What are the key properties of 1-(1,1-difluoropropyl)-4-ethylsulfonylbenzene?
1-(1,1-difluoropropyl)-4-ethylsulfonylbenzene has a molecular weight of 248.29 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoropropyl)-4-ethylsulfonylbenzene is sourced from PubChem (CID 116841298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).