[(1R,6S)-2,2,6-trimethylcyclohexyl]methanesulfonyl fluoride

C10H19FO2S — CID 54229539

IUPAC[(1R,6S)-2,2,6-trimethylcyclohexyl]methanesulfonyl fluoride
SMILESC[C@H]1CCCC(C)(C)[C@@H]1CS(=O)(=O)F
InChIInChI=1S/C10H19FO2S/c1-8-5-4-6-10(2,3)9(8)7-14(11,12)13/h8-9H,4-7H2,1-3H3/t8-,9+/m0/s1
InChIKeyQIGMSFCJZDWVGV-DTWKUNHWSA-N
MW222.32 g/mol
LogP2.75
Rot. Bonds2

About [(1R,6S)-2,2,6-trimethylcyclohexyl]methanesulfonyl fluoride

[(1R,6S)-2,2,6-trimethylcyclohexyl]methanesulfonyl fluoride (PubChem CID 54229539) has the molecular formula C10H19FO2S and a molecular weight of 222.32 g/mol. Its IUPAC name is [(1R,6S)-2,2,6-trimethylcyclohexyl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[(1R,6S)-2,2,6-trimethylcyclohexyl]methanesulfonyl fluoride
PubChem CID54229539
Molecular FormulaC10H19FO2S
Molecular Weight222.32 g/mol
Exact Mass222.11
IUPAC Name[(1R,6S)-2,2,6-trimethylcyclohexyl]methanesulfonyl fluoride
SMILESC[C@H]1CCCC(C)(C)[C@@H]1CS(=O)(=O)F
InChIInChI=1S/C10H19FO2S/c1-8-5-4-6-10(2,3)9(8)7-14(11,12)13/h8-9H,4-7H2,1-3H3/t8-,9+/m0/s1
InChIKeyQIGMSFCJZDWVGV-DTWKUNHWSA-N
XLogP2.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,6S)-2,2,6-trimethylcyclohexyl]methanesulfonyl fluoride?
The IUPAC name of [(1R,6S)-2,2,6-trimethylcyclohexyl]methanesulfonyl fluoride (CID 54229539) is [(1R,6S)-2,2,6-trimethylcyclohexyl]methanesulfonyl fluoride.
What is the SMILES notation for [(1R,6S)-2,2,6-trimethylcyclohexyl]methanesulfonyl fluoride?
The canonical SMILES for [(1R,6S)-2,2,6-trimethylcyclohexyl]methanesulfonyl fluoride is C[C@H]1CCCC(C)(C)[C@@H]1CS(=O)(=O)F.
What is the InChIKey of [(1R,6S)-2,2,6-trimethylcyclohexyl]methanesulfonyl fluoride?
The InChIKey is QIGMSFCJZDWVGV-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H19FO2S/c1-8-5-4-6-10(2,3)9(8)7-14(11,12)13/h8-9H,4-7H2,1-3H3/t8-,9+/m0/s1.
What are the key properties of [(1R,6S)-2,2,6-trimethylcyclohexyl]methanesulfonyl fluoride?
[(1R,6S)-2,2,6-trimethylcyclohexyl]methanesulfonyl fluoride has a molecular weight of 222.32 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,6S)-2,2,6-trimethylcyclohexyl]methanesulfonyl fluoride is sourced from PubChem (CID 54229539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).