2,2-dimethylcyclopropane-1-sulfonyl fluoride

C5H9FO2S — CID 139363293

IUPAC2,2-dimethylcyclopropane-1-sulfonyl fluoride
SMILESCC1(C)CC1S(=O)(=O)F
InChIInChI=1S/C5H9FO2S/c1-5(2)3-4(5)9(6,7)8/h4H,3H2,1-2H3
InChIKeyHOBQXDOILTUBGF-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.08
Rot. Bonds1

About 2,2-dimethylcyclopropane-1-sulfonyl fluoride

2,2-dimethylcyclopropane-1-sulfonyl fluoride (PubChem CID 139363293) has the molecular formula C5H9FO2S and a molecular weight of 152.19 g/mol. Its IUPAC name is 2,2-dimethylcyclopropane-1-sulfonyl fluoride.

Molecular Properties

Compound Name2,2-dimethylcyclopropane-1-sulfonyl fluoride
PubChem CID139363293
Molecular FormulaC5H9FO2S
Molecular Weight152.19 g/mol
Exact Mass152.03
IUPAC Name2,2-dimethylcyclopropane-1-sulfonyl fluoride
SMILESCC1(C)CC1S(=O)(=O)F
InChIInChI=1S/C5H9FO2S/c1-5(2)3-4(5)9(6,7)8/h4H,3H2,1-2H3
InChIKeyHOBQXDOILTUBGF-UHFFFAOYSA-N
XLogP1.08
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methylbutane-1-sulfonyl fluoride
CID 22935853
(1-Methylcyclopropyl)methanesulfonyl chloride
CID 55262941
2,2-Dimethylcyclopropane-1-sulfonyl chloride
CID 137944046
3,3-Dimethylbutane-1-sulfonyl fluoride
CID 54593040
(1-Methylcyclopropyl)methanesulfonyl fluoride
CID 138989246
(2-Methylcyclopropyl)methanesulfonyl fluoride
CID 139022381
3-Methylbutane-1-sulfonyl fluoride
CID 87773919
2,2-Dimethylpropane-1-sulfonyl fluoride
CID 115011968
2-Methylcyclopropane-1-sulfonyl fluoride
CID 139363295
Methyl [1-(fluoromethyl)cyclopropyl]methanesulfonate
CID 175517541
[1-(Fluoromethyl)cyclopropyl]methanesulfonyl chloride
CID 55262831
(2R)-2-methylbutane-1-sulfonyl fluoride
CID 98124569

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylcyclopropane-1-sulfonyl fluoride?
The IUPAC name of 2,2-dimethylcyclopropane-1-sulfonyl fluoride (CID 139363293) is 2,2-dimethylcyclopropane-1-sulfonyl fluoride.
What is the SMILES notation for 2,2-dimethylcyclopropane-1-sulfonyl fluoride?
The canonical SMILES for 2,2-dimethylcyclopropane-1-sulfonyl fluoride is CC1(C)CC1S(=O)(=O)F.
What is the InChIKey of 2,2-dimethylcyclopropane-1-sulfonyl fluoride?
The InChIKey is HOBQXDOILTUBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO2S/c1-5(2)3-4(5)9(6,7)8/h4H,3H2,1-2H3.
What are the key properties of 2,2-dimethylcyclopropane-1-sulfonyl fluoride?
2,2-dimethylcyclopropane-1-sulfonyl fluoride has a molecular weight of 152.19 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylcyclopropane-1-sulfonyl fluoride is sourced from PubChem (CID 139363293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).