3-cyclopropyl-2,2-difluoropropane-1-sulfonyl chloride

C6H9ClF2O2S — CID 105473382

IUPAC3-cyclopropyl-2,2-difluoropropane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CC(F)(F)CC1CC1
InChIInChI=1S/C6H9ClF2O2S/c7-12(10,11)4-6(8,9)3-5-1-2-5/h5H,1-4H2
InChIKeyNXLADVVZNXAFQS-UHFFFAOYSA-N
MW218.65 g/mol
LogP1.99
Rot. Bonds4

About 3-cyclopropyl-2,2-difluoropropane-1-sulfonyl chloride

3-cyclopropyl-2,2-difluoropropane-1-sulfonyl chloride (PubChem CID 105473382) has the molecular formula C6H9ClF2O2S and a molecular weight of 218.65 g/mol. Its IUPAC name is 3-cyclopropyl-2,2-difluoropropane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-cyclopropyl-2,2-difluoropropane-1-sulfonyl chloride
PubChem CID105473382
Molecular FormulaC6H9ClF2O2S
Molecular Weight218.65 g/mol
Exact Mass218.00
IUPAC Name3-cyclopropyl-2,2-difluoropropane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CC(F)(F)CC1CC1
InChIInChI=1S/C6H9ClF2O2S/c7-12(10,11)4-6(8,9)3-5-1-2-5/h5H,1-4H2
InChIKeyNXLADVVZNXAFQS-UHFFFAOYSA-N
XLogP1.99
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.65
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2,2-difluoropropane-1-sulfonyl chloride?
The IUPAC name of 3-cyclopropyl-2,2-difluoropropane-1-sulfonyl chloride (CID 105473382) is 3-cyclopropyl-2,2-difluoropropane-1-sulfonyl chloride.
What is the SMILES notation for 3-cyclopropyl-2,2-difluoropropane-1-sulfonyl chloride?
The canonical SMILES for 3-cyclopropyl-2,2-difluoropropane-1-sulfonyl chloride is O=S(=O)(Cl)CC(F)(F)CC1CC1.
What is the InChIKey of 3-cyclopropyl-2,2-difluoropropane-1-sulfonyl chloride?
The InChIKey is NXLADVVZNXAFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClF2O2S/c7-12(10,11)4-6(8,9)3-5-1-2-5/h5H,1-4H2.
What are the key properties of 3-cyclopropyl-2,2-difluoropropane-1-sulfonyl chloride?
3-cyclopropyl-2,2-difluoropropane-1-sulfonyl chloride has a molecular weight of 218.65 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2,2-difluoropropane-1-sulfonyl chloride is sourced from PubChem (CID 105473382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).