2,2-difluorospiro[3.3]heptane-6-sulfonyl chloride

C7H9ClF2O2S — CID 139026822

IUPAC2,2-difluorospiro[3.3]heptane-6-sulfonyl chloride
SMILESO=S(=O)(Cl)C1CC2(C1)CC(F)(F)C2
InChIInChI=1S/C7H9ClF2O2S/c8-13(11,12)5-1-6(2-5)3-7(9,10)4-6/h5H,1-4H2
InChIKeyRADYECAMPMDSQQ-UHFFFAOYSA-N
MW230.66 g/mol
LogP2.13
Rot. Bonds1

About 2,2-difluorospiro[3.3]heptane-6-sulfonyl chloride

2,2-difluorospiro[3.3]heptane-6-sulfonyl chloride (PubChem CID 139026822) has the molecular formula C7H9ClF2O2S and a molecular weight of 230.66 g/mol. Its IUPAC name is 2,2-difluorospiro[3.3]heptane-6-sulfonyl chloride.

Molecular Properties

Compound Name2,2-difluorospiro[3.3]heptane-6-sulfonyl chloride
PubChem CID139026822
Molecular FormulaC7H9ClF2O2S
Molecular Weight230.66 g/mol
Exact Mass230.00
IUPAC Name2,2-difluorospiro[3.3]heptane-6-sulfonyl chloride
SMILESO=S(=O)(Cl)C1CC2(C1)CC(F)(F)C2
InChIInChI=1S/C7H9ClF2O2S/c8-13(11,12)5-1-6(2-5)3-7(9,10)4-6/h5H,1-4H2
InChIKeyRADYECAMPMDSQQ-UHFFFAOYSA-N
XLogP2.13
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.66
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2-difluorospiro[3.3]heptane-6-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-difluorospiro[3.3]heptane-6-sulfonyl chloride?
The IUPAC name of 2,2-difluorospiro[3.3]heptane-6-sulfonyl chloride (CID 139026822) is 2,2-difluorospiro[3.3]heptane-6-sulfonyl chloride.
What is the SMILES notation for 2,2-difluorospiro[3.3]heptane-6-sulfonyl chloride?
The canonical SMILES for 2,2-difluorospiro[3.3]heptane-6-sulfonyl chloride is O=S(=O)(Cl)C1CC2(C1)CC(F)(F)C2.
What is the InChIKey of 2,2-difluorospiro[3.3]heptane-6-sulfonyl chloride?
The InChIKey is RADYECAMPMDSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClF2O2S/c8-13(11,12)5-1-6(2-5)3-7(9,10)4-6/h5H,1-4H2.
What are the key properties of 2,2-difluorospiro[3.3]heptane-6-sulfonyl chloride?
2,2-difluorospiro[3.3]heptane-6-sulfonyl chloride has a molecular weight of 230.66 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluorospiro[3.3]heptane-6-sulfonyl chloride is sourced from PubChem (CID 139026822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).