[1-(2,2,2-trifluoroethoxymethyl)cyclohexyl]methanesulfonyl chloride

C10H16ClF3O3S — CID 65006648

IUPAC[1-(2,2,2-trifluoroethoxymethyl)cyclohexyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1(COCC(F)(F)F)CCCCC1
InChIInChI=1S/C10H16ClF3O3S/c11-18(15,16)8-9(4-2-1-3-5-9)6-17-7-10(12,13)14/h1-8H2
InChIKeySAUYUNDMROBMSV-UHFFFAOYSA-N
MW308.75 g/mol
LogP3.08
Rot. Bonds5

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

[1-(2,2,2-trifluoroethoxymethyl)cyclohexyl]methanesulfonyl chloride (PubChem CID 65006648) has the molecular formula C10H16ClF3O3S and a molecular weight of 308.75 g/mol. Its IUPAC name is [1-(2,2,2-trifluoroethoxymethyl)cyclohexyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-(2,2,2-trifluoroethoxymethyl)cyclohexyl]methanesulfonyl chloride
PubChem CID65006648
Molecular FormulaC10H16ClF3O3S
Molecular Weight308.75 g/mol
Exact Mass308.05
IUPAC Name[1-(2,2,2-trifluoroethoxymethyl)cyclohexyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1(COCC(F)(F)F)CCCCC1
InChIInChI=1S/C10H16ClF3O3S/c11-18(15,16)8-9(4-2-1-3-5-9)6-17-7-10(12,13)14/h1-8H2
InChIKeySAUYUNDMROBMSV-UHFFFAOYSA-N
XLogP3.08
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.75
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2,2,2-trifluoroethoxymethyl)cyclohexyl]methanesulfonyl chloride?
The IUPAC name of [1-(2,2,2-trifluoroethoxymethyl)cyclohexyl]methanesulfonyl chloride (CID 65006648) is [1-(2,2,2-trifluoroethoxymethyl)cyclohexyl]methanesulfonyl chloride.
What is the SMILES notation for [1-(2,2,2-trifluoroethoxymethyl)cyclohexyl]methanesulfonyl chloride?
The canonical SMILES for [1-(2,2,2-trifluoroethoxymethyl)cyclohexyl]methanesulfonyl chloride is O=S(=O)(Cl)CC1(COCC(F)(F)F)CCCCC1.
What is the InChIKey of [1-(2,2,2-trifluoroethoxymethyl)cyclohexyl]methanesulfonyl chloride?
The InChIKey is SAUYUNDMROBMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClF3O3S/c11-18(15,16)8-9(4-2-1-3-5-9)6-17-7-10(12,13)14/h1-8H2.
What are the key properties of [1-(2,2,2-trifluoroethoxymethyl)cyclohexyl]methanesulfonyl chloride?
[1-(2,2,2-trifluoroethoxymethyl)cyclohexyl]methanesulfonyl chloride has a molecular weight of 308.75 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2,2-trifluoroethoxymethyl)cyclohexyl]methanesulfonyl chloride is sourced from PubChem (CID 65006648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).