2-cyclopropyl-2-hydroxyethanesulfonyl fluoride

C5H9FO3S — CID 115013397

IUPAC2-cyclopropyl-2-hydroxyethanesulfonyl fluoride
SMILESO=S(=O)(F)CC(O)C1CC1
InChIInChI=1S/C5H9FO3S/c6-10(8,9)3-5(7)4-1-2-4/h4-5,7H,1-3H2
InChIKeyUADPEMIIDYGVIY-UHFFFAOYSA-N
MW168.19 g/mol
LogP0.06
Rot. Bonds3

About 2-cyclopropyl-2-hydroxyethanesulfonyl fluoride

2-cyclopropyl-2-hydroxyethanesulfonyl fluoride (PubChem CID 115013397) has the molecular formula C5H9FO3S and a molecular weight of 168.19 g/mol. Its IUPAC name is 2-cyclopropyl-2-hydroxyethanesulfonyl fluoride.

Molecular Properties

Compound Name2-cyclopropyl-2-hydroxyethanesulfonyl fluoride
PubChem CID115013397
Molecular FormulaC5H9FO3S
Molecular Weight168.19 g/mol
Exact Mass168.03
IUPAC Name2-cyclopropyl-2-hydroxyethanesulfonyl fluoride
SMILESO=S(=O)(F)CC(O)C1CC1
InChIInChI=1S/C5H9FO3S/c6-10(8,9)3-5(7)4-1-2-4/h4-5,7H,1-3H2
InChIKeyUADPEMIIDYGVIY-UHFFFAOYSA-N
XLogP0.06
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Hydroxy-3-methylbutane-1-sulfonyl fluoride
CID 115013718
2-Hydroxypentane-1-sulfonyl fluoride
CID 115013719
2-Hydroxy-4-methylpentane-1-sulfonyl fluoride
CID 115016687
2-Cyclopropyl-2-methoxyethane-1-sulfonyl fluoride
CID 165869117
Propyl (2-hydroxycyclopropyl)methanesulfonate
CID 87344554
(1R,2S)-1-cyclopropyl-1-hydroxypropane-2-sulfinate
CID 124085566
(1S,2R)-1-cyclopropyl-1-hydroxypropane-2-sulfinate
CID 124085575
1-Cyclopropyl-2-methylsulfonylethanol
CID 63906828
2-Cyclopropyl-2-hydroxyethanesulfonamide
CID 115013055
2-Cyclopropyl-2-hydroxyethanesulfonic acid
CID 115013162
2-Cyclopropyl-2-hydroxyethanesulfonyl chloride
CID 115016816
(1R)-1-cyclopropyl-2-methylsulfonylethanol
CID 124485611

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-hydroxyethanesulfonyl fluoride?
The IUPAC name of 2-cyclopropyl-2-hydroxyethanesulfonyl fluoride (CID 115013397) is 2-cyclopropyl-2-hydroxyethanesulfonyl fluoride.
What is the SMILES notation for 2-cyclopropyl-2-hydroxyethanesulfonyl fluoride?
The canonical SMILES for 2-cyclopropyl-2-hydroxyethanesulfonyl fluoride is O=S(=O)(F)CC(O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-hydroxyethanesulfonyl fluoride?
The InChIKey is UADPEMIIDYGVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO3S/c6-10(8,9)3-5(7)4-1-2-4/h4-5,7H,1-3H2.
What are the key properties of 2-cyclopropyl-2-hydroxyethanesulfonyl fluoride?
2-cyclopropyl-2-hydroxyethanesulfonyl fluoride has a molecular weight of 168.19 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-hydroxyethanesulfonyl fluoride is sourced from PubChem (CID 115013397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).