[1-(1,1,1-trifluoropropan-2-yloxymethyl)cyclohexyl]methanesulfonyl chloride

C11H18ClF3O3S — CID 66277495

IUPAC[1-(1,1,1-trifluoropropan-2-yloxymethyl)cyclohexyl]methanesulfonyl chloride
SMILESCC(OCC1(CS(=O)(=O)Cl)CCCCC1)C(F)(F)F
InChIInChI=1S/C11H18ClF3O3S/c1-9(11(13,14)15)18-7-10(8-19(12,16)17)5-3-2-4-6-10/h9H,2-8H2,1H3
InChIKeyPGQXDVOMMFIYQK-UHFFFAOYSA-N
MW322.78 g/mol
LogP3.47
Rot. Bonds5

About [1-(1,1,1-trifluoropropan-2-yloxymethyl)cyclohexyl]methanesulfonyl chloride

[1-(1,1,1-trifluoropropan-2-yloxymethyl)cyclohexyl]methanesulfonyl chloride (PubChem CID 66277495) has the molecular formula C11H18ClF3O3S and a molecular weight of 322.78 g/mol. Its IUPAC name is [1-(1,1,1-trifluoropropan-2-yloxymethyl)cyclohexyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-(1,1,1-trifluoropropan-2-yloxymethyl)cyclohexyl]methanesulfonyl chloride
PubChem CID66277495
Molecular FormulaC11H18ClF3O3S
Molecular Weight322.78 g/mol
Exact Mass322.06
IUPAC Name[1-(1,1,1-trifluoropropan-2-yloxymethyl)cyclohexyl]methanesulfonyl chloride
SMILESCC(OCC1(CS(=O)(=O)Cl)CCCCC1)C(F)(F)F
InChIInChI=1S/C11H18ClF3O3S/c1-9(11(13,14)15)18-7-10(8-19(12,16)17)5-3-2-4-6-10/h9H,2-8H2,1H3
InChIKeyPGQXDVOMMFIYQK-UHFFFAOYSA-N
XLogP3.47
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.78
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(1,1,1-trifluoropropan-2-yloxymethyl)cyclohexyl]methanesulfonyl chloride?
The IUPAC name of [1-(1,1,1-trifluoropropan-2-yloxymethyl)cyclohexyl]methanesulfonyl chloride (CID 66277495) is [1-(1,1,1-trifluoropropan-2-yloxymethyl)cyclohexyl]methanesulfonyl chloride.
What is the SMILES notation for [1-(1,1,1-trifluoropropan-2-yloxymethyl)cyclohexyl]methanesulfonyl chloride?
The canonical SMILES for [1-(1,1,1-trifluoropropan-2-yloxymethyl)cyclohexyl]methanesulfonyl chloride is CC(OCC1(CS(=O)(=O)Cl)CCCCC1)C(F)(F)F.
What is the InChIKey of [1-(1,1,1-trifluoropropan-2-yloxymethyl)cyclohexyl]methanesulfonyl chloride?
The InChIKey is PGQXDVOMMFIYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClF3O3S/c1-9(11(13,14)15)18-7-10(8-19(12,16)17)5-3-2-4-6-10/h9H,2-8H2,1H3.
What are the key properties of [1-(1,1,1-trifluoropropan-2-yloxymethyl)cyclohexyl]methanesulfonyl chloride?
[1-(1,1,1-trifluoropropan-2-yloxymethyl)cyclohexyl]methanesulfonyl chloride has a molecular weight of 322.78 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,1,1-trifluoropropan-2-yloxymethyl)cyclohexyl]methanesulfonyl chloride is sourced from PubChem (CID 66277495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).