2-cyclopropyl-2-ethoxyethanesulfonyl fluoride

C7H13FO3S — CID 165459796

IUPAC2-cyclopropyl-2-ethoxyethanesulfonyl fluoride
SMILESCCOC(CS(=O)(=O)F)C1CC1
InChIInChI=1S/C7H13FO3S/c1-2-11-7(6-3-4-6)5-12(8,9)10/h6-7H,2-5H2,1H3
InChIKeyRYGAIOWGGJYXEL-UHFFFAOYSA-N
MW196.24 g/mol
LogP1.10
Rot. Bonds5

About 2-cyclopropyl-2-ethoxyethanesulfonyl fluoride

2-cyclopropyl-2-ethoxyethanesulfonyl fluoride (PubChem CID 165459796) has the molecular formula C7H13FO3S and a molecular weight of 196.24 g/mol. Its IUPAC name is 2-cyclopropyl-2-ethoxyethanesulfonyl fluoride.

Molecular Properties

Compound Name2-cyclopropyl-2-ethoxyethanesulfonyl fluoride
PubChem CID165459796
Molecular FormulaC7H13FO3S
Molecular Weight196.24 g/mol
Exact Mass196.06
IUPAC Name2-cyclopropyl-2-ethoxyethanesulfonyl fluoride
SMILESCCOC(CS(=O)(=O)F)C1CC1
InChIInChI=1S/C7H13FO3S/c1-2-11-7(6-3-4-6)5-12(8,9)10/h6-7H,2-5H2,1H3
InChIKeyRYGAIOWGGJYXEL-UHFFFAOYSA-N
XLogP1.10
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Cyclopropyl-2-methoxyethane-1-sulfonyl chloride
CID 105451878
2-Cyclopropyl-2-ethoxyethane-1-sulfonyl chloride
CID 131302460
2-(Ethoxymethyl)-2-methylcyclopropane-1-sulfonyl fluoride
CID 165452671
2-Methoxy-3-methylbutane-1-sulfonyl fluoride
CID 165453618
2-(Cyclopropylmethoxy)ethane-1-sulfonyl fluoride
CID 165453624
2-Methoxy-4-methylpentane-1-sulfonyl fluoride
CID 165461337
(3-Methoxycyclobutyl)methanesulfonyl fluoride
CID 165521077
rac-[(2R,3S)-3-methyloxolan-2-yl]methanesulfonyl fluoride
CID 165607168
(2-Methyloxolan-3-yl)methanesulfonyl fluoride
CID 165635528
rac-[(1R,2R)-2-methoxycyclobutyl]methanesulfonyl fluoride
CID 165665773
2-(3-Methylbutoxy)ethane-1-sulfonyl fluoride
CID 165675258
2-(2-Methyloxolan-3-yl)ethane-1-sulfonyl fluoride
CID 165869067

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-ethoxyethanesulfonyl fluoride?
The IUPAC name of 2-cyclopropyl-2-ethoxyethanesulfonyl fluoride (CID 165459796) is 2-cyclopropyl-2-ethoxyethanesulfonyl fluoride.
What is the SMILES notation for 2-cyclopropyl-2-ethoxyethanesulfonyl fluoride?
The canonical SMILES for 2-cyclopropyl-2-ethoxyethanesulfonyl fluoride is CCOC(CS(=O)(=O)F)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-ethoxyethanesulfonyl fluoride?
The InChIKey is RYGAIOWGGJYXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO3S/c1-2-11-7(6-3-4-6)5-12(8,9)10/h6-7H,2-5H2,1H3.
What are the key properties of 2-cyclopropyl-2-ethoxyethanesulfonyl fluoride?
2-cyclopropyl-2-ethoxyethanesulfonyl fluoride has a molecular weight of 196.24 g/mol, XLogP of 1.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-ethoxyethanesulfonyl fluoride is sourced from PubChem (CID 165459796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).