2-cycloheptyl-2-hydroxyethanesulfonyl fluoride

C9H17FO3S — CID 115034579

IUPAC2-cycloheptyl-2-hydroxyethanesulfonyl fluoride
SMILESO=S(=O)(F)CC(O)C1CCCCCC1
InChIInChI=1S/C9H17FO3S/c10-14(12,13)7-9(11)8-5-3-1-2-4-6-8/h8-9,11H,1-7H2
InChIKeyQVCNLZNKVVWAKK-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.62
Rot. Bonds3

About 2-cycloheptyl-2-hydroxyethanesulfonyl fluoride

2-cycloheptyl-2-hydroxyethanesulfonyl fluoride (PubChem CID 115034579) has the molecular formula C9H17FO3S and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-cycloheptyl-2-hydroxyethanesulfonyl fluoride.

Molecular Properties

Compound Name2-cycloheptyl-2-hydroxyethanesulfonyl fluoride
PubChem CID115034579
Molecular FormulaC9H17FO3S
Molecular Weight224.30 g/mol
Exact Mass224.09
IUPAC Name2-cycloheptyl-2-hydroxyethanesulfonyl fluoride
SMILESO=S(=O)(F)CC(O)C1CCCCCC1
InChIInChI=1S/C9H17FO3S/c10-14(12,13)7-9(11)8-5-3-1-2-4-6-8/h8-9,11H,1-7H2
InChIKeyQVCNLZNKVVWAKK-UHFFFAOYSA-N
XLogP1.62
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cycloheptyl-2-hydroxyethanesulfonic acid
CID 115033560
1-cyclopentyl-2-methylsulfonylethanol
CID 115601024
2-cyclopentyl-2-hydroxyethanesulfonamide
CID 115019545
(1R)-1-cyclohexylethane-1,2-diol
CID 11789331
2-(4-chlorophenyl)sulfonyl-1-cyclohexylethanol
CID 106584920
(2S)-2-cyclopentyl-2-hydroxy-N-methoxy-N-methylethanesulfonamide
CID 167629578
2-cyclopropyl-2-hydroxyethanesulfonamide
CID 115013055
1-cycloheptyl-4-ethylsulfonylbutan-1-ol
CID 65399225
cyclohexyl(hydroxy)methanesulfonic acid
CID 24965327
1-cyclopentyl-3,3,3-trifluoropropan-1-ol
CID 61392890
alpha-Hydroxy-cyclohexanemethanesulfonic acid sodium salt
CID 71748844
1-cyclohexyl-2-cyclopentylethane-1,2-diol
CID 103459295

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-2-hydroxyethanesulfonyl fluoride?
The IUPAC name of 2-cycloheptyl-2-hydroxyethanesulfonyl fluoride (CID 115034579) is 2-cycloheptyl-2-hydroxyethanesulfonyl fluoride.
What is the SMILES notation for 2-cycloheptyl-2-hydroxyethanesulfonyl fluoride?
The canonical SMILES for 2-cycloheptyl-2-hydroxyethanesulfonyl fluoride is O=S(=O)(F)CC(O)C1CCCCCC1.
What is the InChIKey of 2-cycloheptyl-2-hydroxyethanesulfonyl fluoride?
The InChIKey is QVCNLZNKVVWAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FO3S/c10-14(12,13)7-9(11)8-5-3-1-2-4-6-8/h8-9,11H,1-7H2.
What are the key properties of 2-cycloheptyl-2-hydroxyethanesulfonyl fluoride?
2-cycloheptyl-2-hydroxyethanesulfonyl fluoride has a molecular weight of 224.30 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-2-hydroxyethanesulfonyl fluoride is sourced from PubChem (CID 115034579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).