[1-[(2,4-difluorophenoxy)methyl]cyclohexyl]methanesulfonyl chloride

C14H17ClF2O3S — CID 65007281

IUPAC[1-[(2,4-difluorophenoxy)methyl]cyclohexyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1(COc2ccc(F)cc2F)CCCCC1
InChIInChI=1S/C14H17ClF2O3S/c15-21(18,19)10-14(6-2-1-3-7-14)9-20-13-5-4-11(16)8-12(13)17/h4-5,8H,1-3,6-7,9-10H2
InChIKeyQPQNXOOBDZPELM-UHFFFAOYSA-N
MW338.80 g/mol
LogP3.86
Rot. Bonds5

About [1-[(2,4-difluorophenoxy)methyl]cyclohexyl]methanesulfonyl chloride

[1-[(2,4-difluorophenoxy)methyl]cyclohexyl]methanesulfonyl chloride (PubChem CID 65007281) has the molecular formula C14H17ClF2O3S and a molecular weight of 338.80 g/mol. Its IUPAC name is [1-[(2,4-difluorophenoxy)methyl]cyclohexyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-[(2,4-difluorophenoxy)methyl]cyclohexyl]methanesulfonyl chloride
PubChem CID65007281
Molecular FormulaC14H17ClF2O3S
Molecular Weight338.80 g/mol
Exact Mass338.06
IUPAC Name[1-[(2,4-difluorophenoxy)methyl]cyclohexyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1(COc2ccc(F)cc2F)CCCCC1
InChIInChI=1S/C14H17ClF2O3S/c15-21(18,19)10-14(6-2-1-3-7-14)9-20-13-5-4-11(16)8-12(13)17/h4-5,8H,1-3,6-7,9-10H2
InChIKeyQPQNXOOBDZPELM-UHFFFAOYSA-N
XLogP3.86
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(2,4-difluorophenoxy)methyl]cyclohexyl]methanesulfonyl chloride?
The IUPAC name of [1-[(2,4-difluorophenoxy)methyl]cyclohexyl]methanesulfonyl chloride (CID 65007281) is [1-[(2,4-difluorophenoxy)methyl]cyclohexyl]methanesulfonyl chloride.
What is the SMILES notation for [1-[(2,4-difluorophenoxy)methyl]cyclohexyl]methanesulfonyl chloride?
The canonical SMILES for [1-[(2,4-difluorophenoxy)methyl]cyclohexyl]methanesulfonyl chloride is O=S(=O)(Cl)CC1(COc2ccc(F)cc2F)CCCCC1.
What is the InChIKey of [1-[(2,4-difluorophenoxy)methyl]cyclohexyl]methanesulfonyl chloride?
The InChIKey is QPQNXOOBDZPELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF2O3S/c15-21(18,19)10-14(6-2-1-3-7-14)9-20-13-5-4-11(16)8-12(13)17/h4-5,8H,1-3,6-7,9-10H2.
What are the key properties of [1-[(2,4-difluorophenoxy)methyl]cyclohexyl]methanesulfonyl chloride?
[1-[(2,4-difluorophenoxy)methyl]cyclohexyl]methanesulfonyl chloride has a molecular weight of 338.80 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,4-difluorophenoxy)methyl]cyclohexyl]methanesulfonyl chloride is sourced from PubChem (CID 65007281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).