[(1S)-3,3-difluorocyclohexyl]methanesulfonyl chloride

C7H11ClF2O2S — CID 124709989

IUPAC[(1S)-3,3-difluorocyclohexyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)C[C@H]1CCCC(F)(F)C1
InChIInChI=1S/C7H11ClF2O2S/c8-13(11,12)5-6-2-1-3-7(9,10)4-6/h6H,1-5H2/t6-/m0/s1
InChIKeyQSPHSERFSNKLAW-LURJTMIESA-N
MW232.68 g/mol
LogP2.38
Rot. Bonds2

About [(1S)-3,3-difluorocyclohexyl]methanesulfonyl chloride

[(1S)-3,3-difluorocyclohexyl]methanesulfonyl chloride (PubChem CID 124709989) has the molecular formula C7H11ClF2O2S and a molecular weight of 232.68 g/mol. Its IUPAC name is [(1S)-3,3-difluorocyclohexyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[(1S)-3,3-difluorocyclohexyl]methanesulfonyl chloride
PubChem CID124709989
Molecular FormulaC7H11ClF2O2S
Molecular Weight232.68 g/mol
Exact Mass232.01
IUPAC Name[(1S)-3,3-difluorocyclohexyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)C[C@H]1CCCC(F)(F)C1
InChIInChI=1S/C7H11ClF2O2S/c8-13(11,12)5-6-2-1-3-7(9,10)4-6/h6H,1-5H2/t6-/m0/s1
InChIKeyQSPHSERFSNKLAW-LURJTMIESA-N
XLogP2.38
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.68
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(2,2-difluorocyclopropyl)methanesulfonyl chloride
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2-(3,3-difluorocyclohexyl)-1-(4-ethylcyclohexyl)ethanone
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1-[(3,3-difluorocyclohexyl)methyl]-3-methylcyclohexan-1-ol
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N-[(5-cyano-3-pyridinyl)methyl]-1-[(1S)-3,3-difluorocyclohexyl]methanesulfonamide
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2-[(3,3-difluorocyclohexyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
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Frequently Asked Questions

What is the IUPAC name of [(1S)-3,3-difluorocyclohexyl]methanesulfonyl chloride?
The IUPAC name of [(1S)-3,3-difluorocyclohexyl]methanesulfonyl chloride (CID 124709989) is [(1S)-3,3-difluorocyclohexyl]methanesulfonyl chloride.
What is the SMILES notation for [(1S)-3,3-difluorocyclohexyl]methanesulfonyl chloride?
The canonical SMILES for [(1S)-3,3-difluorocyclohexyl]methanesulfonyl chloride is O=S(=O)(Cl)C[C@H]1CCCC(F)(F)C1.
What is the InChIKey of [(1S)-3,3-difluorocyclohexyl]methanesulfonyl chloride?
The InChIKey is QSPHSERFSNKLAW-LURJTMIESA-N. The full InChI is InChI=1S/C7H11ClF2O2S/c8-13(11,12)5-6-2-1-3-7(9,10)4-6/h6H,1-5H2/t6-/m0/s1.
What are the key properties of [(1S)-3,3-difluorocyclohexyl]methanesulfonyl chloride?
[(1S)-3,3-difluorocyclohexyl]methanesulfonyl chloride has a molecular weight of 232.68 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-3,3-difluorocyclohexyl]methanesulfonyl chloride is sourced from PubChem (CID 124709989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).