4-(3,3-difluorobutylsulfonylmethyl)-1-fluorocyclohexene

C11H17F3O2S — CID 59378325

IUPAC4-(3,3-difluorobutylsulfonylmethyl)-1-fluorocyclohexene
SMILESCC(F)(F)CCS(=O)(=O)CC1CC=C(F)CC1
InChIInChI=1S/C11H17F3O2S/c1-11(13,14)6-7-17(15,16)8-9-2-4-10(12)5-3-9/h4,9H,2-3,5-8H2,1H3
InChIKeyGHNDKQNMZATHQJ-UHFFFAOYSA-N
MW270.32 g/mol
LogP3.10
Rot. Bonds5

About 4-(3,3-difluorobutylsulfonylmethyl)-1-fluorocyclohexene

4-(3,3-difluorobutylsulfonylmethyl)-1-fluorocyclohexene (PubChem CID 59378325) has the molecular formula C11H17F3O2S and a molecular weight of 270.32 g/mol. Its IUPAC name is 4-(3,3-difluorobutylsulfonylmethyl)-1-fluorocyclohexene.

Molecular Properties

Compound Name4-(3,3-difluorobutylsulfonylmethyl)-1-fluorocyclohexene
PubChem CID59378325
Molecular FormulaC11H17F3O2S
Molecular Weight270.32 g/mol
Exact Mass270.09
IUPAC Name4-(3,3-difluorobutylsulfonylmethyl)-1-fluorocyclohexene
SMILESCC(F)(F)CCS(=O)(=O)CC1CC=C(F)CC1
InChIInChI=1S/C11H17F3O2S/c1-11(13,14)6-7-17(15,16)8-9-2-4-10(12)5-3-9/h4,9H,2-3,5-8H2,1H3
InChIKeyGHNDKQNMZATHQJ-UHFFFAOYSA-N
XLogP3.10
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluorobutylsulfonylmethyl)-1-fluorocyclohexene?
The IUPAC name of 4-(3,3-difluorobutylsulfonylmethyl)-1-fluorocyclohexene (CID 59378325) is 4-(3,3-difluorobutylsulfonylmethyl)-1-fluorocyclohexene.
What is the SMILES notation for 4-(3,3-difluorobutylsulfonylmethyl)-1-fluorocyclohexene?
The canonical SMILES for 4-(3,3-difluorobutylsulfonylmethyl)-1-fluorocyclohexene is CC(F)(F)CCS(=O)(=O)CC1CC=C(F)CC1.
What is the InChIKey of 4-(3,3-difluorobutylsulfonylmethyl)-1-fluorocyclohexene?
The InChIKey is GHNDKQNMZATHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3O2S/c1-11(13,14)6-7-17(15,16)8-9-2-4-10(12)5-3-9/h4,9H,2-3,5-8H2,1H3.
What are the key properties of 4-(3,3-difluorobutylsulfonylmethyl)-1-fluorocyclohexene?
4-(3,3-difluorobutylsulfonylmethyl)-1-fluorocyclohexene has a molecular weight of 270.32 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluorobutylsulfonylmethyl)-1-fluorocyclohexene is sourced from PubChem (CID 59378325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).