2-cyclopropyl-3-(2,2-difluoropropoxy)propane-1-sulfonyl chloride

C9H15ClF2O3S — CID 165492969

IUPAC2-cyclopropyl-3-(2,2-difluoropropoxy)propane-1-sulfonyl chloride
SMILESCC(F)(F)COCC(CS(=O)(=O)Cl)C1CC1
InChIInChI=1S/C9H15ClF2O3S/c1-9(11,12)6-15-4-8(7-2-3-7)5-16(10,13)14/h7-8H,2-6H2,1H3
InChIKeyPQHNNAXJCORDSF-UHFFFAOYSA-N
MW276.73 g/mol
LogP2.25
Rot. Bonds7

About 2-cyclopropyl-3-(2,2-difluoropropoxy)propane-1-sulfonyl chloride

2-cyclopropyl-3-(2,2-difluoropropoxy)propane-1-sulfonyl chloride (PubChem CID 165492969) has the molecular formula C9H15ClF2O3S and a molecular weight of 276.73 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2,2-difluoropropoxy)propane-1-sulfonyl chloride.

Molecular Properties

Compound Name2-cyclopropyl-3-(2,2-difluoropropoxy)propane-1-sulfonyl chloride
PubChem CID165492969
Molecular FormulaC9H15ClF2O3S
Molecular Weight276.73 g/mol
Exact Mass276.04
IUPAC Name2-cyclopropyl-3-(2,2-difluoropropoxy)propane-1-sulfonyl chloride
SMILESCC(F)(F)COCC(CS(=O)(=O)Cl)C1CC1
InChIInChI=1S/C9H15ClF2O3S/c1-9(11,12)6-15-4-8(7-2-3-7)5-16(10,13)14/h7-8H,2-6H2,1H3
InChIKeyPQHNNAXJCORDSF-UHFFFAOYSA-N
XLogP2.25
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2,2-difluoropropoxy)propane-1-sulfonyl chloride?
The IUPAC name of 2-cyclopropyl-3-(2,2-difluoropropoxy)propane-1-sulfonyl chloride (CID 165492969) is 2-cyclopropyl-3-(2,2-difluoropropoxy)propane-1-sulfonyl chloride.
What is the SMILES notation for 2-cyclopropyl-3-(2,2-difluoropropoxy)propane-1-sulfonyl chloride?
The canonical SMILES for 2-cyclopropyl-3-(2,2-difluoropropoxy)propane-1-sulfonyl chloride is CC(F)(F)COCC(CS(=O)(=O)Cl)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2,2-difluoropropoxy)propane-1-sulfonyl chloride?
The InChIKey is PQHNNAXJCORDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClF2O3S/c1-9(11,12)6-15-4-8(7-2-3-7)5-16(10,13)14/h7-8H,2-6H2,1H3.
What are the key properties of 2-cyclopropyl-3-(2,2-difluoropropoxy)propane-1-sulfonyl chloride?
2-cyclopropyl-3-(2,2-difluoropropoxy)propane-1-sulfonyl chloride has a molecular weight of 276.73 g/mol, XLogP of 2.25, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2,2-difluoropropoxy)propane-1-sulfonyl chloride is sourced from PubChem (CID 165492969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).