4,4-difluorocyclohexane-1-sulfonyl chloride

C6H9ClF2O2S — CID 53417588

IUPAC4,4-difluorocyclohexane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1CCC(F)(F)CC1
InChIInChI=1S/C6H9ClF2O2S/c7-12(10,11)5-1-3-6(8,9)4-2-5/h5H,1-4H2
InChIKeyNABYUBSREFQSDU-UHFFFAOYSA-N
MW218.65 g/mol
LogP2.13
Rot. Bonds1

About 4,4-difluorocyclohexane-1-sulfonyl chloride

4,4-difluorocyclohexane-1-sulfonyl chloride (PubChem CID 53417588) has the molecular formula C6H9ClF2O2S and a molecular weight of 218.65 g/mol. Its IUPAC name is 4,4-difluorocyclohexane-1-sulfonyl chloride.

Molecular Properties

Compound Name4,4-difluorocyclohexane-1-sulfonyl chloride
PubChem CID53417588
Molecular FormulaC6H9ClF2O2S
Molecular Weight218.65 g/mol
Exact Mass218.00
IUPAC Name4,4-difluorocyclohexane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1CCC(F)(F)CC1
InChIInChI=1S/C6H9ClF2O2S/c7-12(10,11)5-1-3-6(8,9)4-2-5/h5H,1-4H2
InChIKeyNABYUBSREFQSDU-UHFFFAOYSA-N
XLogP2.13
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.65
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluorocyclohexane-1-sulfonyl chloride?
The IUPAC name of 4,4-difluorocyclohexane-1-sulfonyl chloride (CID 53417588) is 4,4-difluorocyclohexane-1-sulfonyl chloride.
What is the SMILES notation for 4,4-difluorocyclohexane-1-sulfonyl chloride?
The canonical SMILES for 4,4-difluorocyclohexane-1-sulfonyl chloride is O=S(=O)(Cl)C1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluorocyclohexane-1-sulfonyl chloride?
The InChIKey is NABYUBSREFQSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClF2O2S/c7-12(10,11)5-1-3-6(8,9)4-2-5/h5H,1-4H2.
What are the key properties of 4,4-difluorocyclohexane-1-sulfonyl chloride?
4,4-difluorocyclohexane-1-sulfonyl chloride has a molecular weight of 218.65 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 4,4-difluorocyclohexane-1-sulfonyl chloride is sourced from PubChem (CID 53417588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).