1-(2,2,3,3-tetrafluoropropylsulfonyl)butane

C7H12F4O2S — CID 2259897

IUPAC1-(2,2,3,3-tetrafluoropropylsulfonyl)butane
SMILESCCCCS(=O)(=O)CC(F)(F)C(F)F
InChIInChI=1S/C7H12F4O2S/c1-2-3-4-14(12,13)5-7(10,11)6(8)9/h6H,2-5H2,1H3
InChIKeyFLUNTZSBFAICPO-UHFFFAOYSA-N
MW236.23 g/mol
LogP2.10
Rot. Bonds6

About 1-(2,2,3,3-tetrafluoropropylsulfonyl)butane

1-(2,2,3,3-tetrafluoropropylsulfonyl)butane (PubChem CID 2259897) has the molecular formula C7H12F4O2S and a molecular weight of 236.23 g/mol. Its IUPAC name is 1-(2,2,3,3-tetrafluoropropylsulfonyl)butane.

Molecular Properties

Compound Name1-(2,2,3,3-tetrafluoropropylsulfonyl)butane
PubChem CID2259897
Molecular FormulaC7H12F4O2S
Molecular Weight236.23 g/mol
Exact Mass236.05
IUPAC Name1-(2,2,3,3-tetrafluoropropylsulfonyl)butane
SMILESCCCCS(=O)(=O)CC(F)(F)C(F)F
InChIInChI=1S/C7H12F4O2S/c1-2-3-4-14(12,13)5-7(10,11)6(8)9/h6H,2-5H2,1H3
InChIKeyFLUNTZSBFAICPO-UHFFFAOYSA-N
XLogP2.10
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2,2-trifluoroethylsulfonyl)butane
CID 13096090
calcium;1-butylsulfonylbutane;dichloride
CID 174621632
2-(butylsulfonylmethyl)-3,3,3-trifluoropropanenitrile
CID 103372441
N-(2-ethylsulfonylethyl)-2,2,3,3-tetrafluoropropan-1-amine
CID 106292109
5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine
CID 103474801
butyl-diethyl-propan-2-yl-λ4-sulfane
CID 123699906
3-butylsulfonyl-2-methylpropan-1-amine
CID 64698847
1-ethylsulfonylheptane
CID 19089519
1-octylsulfonylnonane
CID 19089492
butane-1-sulfonamide;trifluoromethanesulfonamide
CID 87836175
trifluoromethyl butane-1-sulfonate
CID 87163996
3-butylsulfonylpropan-1-amine
CID 43615632

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3,3-tetrafluoropropylsulfonyl)butane?
The IUPAC name of 1-(2,2,3,3-tetrafluoropropylsulfonyl)butane (CID 2259897) is 1-(2,2,3,3-tetrafluoropropylsulfonyl)butane.
What is the SMILES notation for 1-(2,2,3,3-tetrafluoropropylsulfonyl)butane?
The canonical SMILES for 1-(2,2,3,3-tetrafluoropropylsulfonyl)butane is CCCCS(=O)(=O)CC(F)(F)C(F)F.
What is the InChIKey of 1-(2,2,3,3-tetrafluoropropylsulfonyl)butane?
The InChIKey is FLUNTZSBFAICPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F4O2S/c1-2-3-4-14(12,13)5-7(10,11)6(8)9/h6H,2-5H2,1H3.
What are the key properties of 1-(2,2,3,3-tetrafluoropropylsulfonyl)butane?
1-(2,2,3,3-tetrafluoropropylsulfonyl)butane has a molecular weight of 236.23 g/mol, XLogP of 2.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3,3-tetrafluoropropylsulfonyl)butane is sourced from PubChem (CID 2259897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).