[1-[(4-fluorophenoxy)methyl]cyclopentyl]methanesulfonyl chloride

C13H16ClFO3S — CID 65001575

IUPAC[1-[(4-fluorophenoxy)methyl]cyclopentyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1(COc2ccc(F)cc2)CCCC1
InChIInChI=1S/C13H16ClFO3S/c14-19(16,17)10-13(7-1-2-8-13)9-18-12-5-3-11(15)4-6-12/h3-6H,1-2,7-10H2
InChIKeyYLGDNQLUQOAPFP-UHFFFAOYSA-N
MW306.79 g/mol
LogP3.33
Rot. Bonds5

About [1-[(4-fluorophenoxy)methyl]cyclopentyl]methanesulfonyl chloride

[1-[(4-fluorophenoxy)methyl]cyclopentyl]methanesulfonyl chloride (PubChem CID 65001575) has the molecular formula C13H16ClFO3S and a molecular weight of 306.79 g/mol. Its IUPAC name is [1-[(4-fluorophenoxy)methyl]cyclopentyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-[(4-fluorophenoxy)methyl]cyclopentyl]methanesulfonyl chloride
PubChem CID65001575
Molecular FormulaC13H16ClFO3S
Molecular Weight306.79 g/mol
Exact Mass306.05
IUPAC Name[1-[(4-fluorophenoxy)methyl]cyclopentyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1(COc2ccc(F)cc2)CCCC1
InChIInChI=1S/C13H16ClFO3S/c14-19(16,17)10-13(7-1-2-8-13)9-18-12-5-3-11(15)4-6-12/h3-6H,1-2,7-10H2
InChIKeyYLGDNQLUQOAPFP-UHFFFAOYSA-N
XLogP3.33
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(4-methoxyphenoxy)methyl]cyclopentyl]methanesulfonyl chloride
CID 65002637
[1-[(3-fluorophenoxy)methyl]cycloheptyl]methanesulfonyl chloride
CID 65010038
[1-[(3,4-dichlorophenoxy)methyl]cyclopentyl]methanesulfonyl chloride
CID 65002646
[1-[(2,4-difluorophenoxy)methyl]cyclohexyl]methanesulfonyl chloride
CID 65007281
[4-[(4-methylphenoxy)methyl]oxan-4-yl]methanesulfonyl chloride
CID 65004721
[1-[(3-methylphenoxy)methyl]cycloheptyl]methanesulfonyl chloride
CID 65009941
[1-[(4-chlorophenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65002799
[1-(2-phenoxyethoxymethyl)cyclopentyl]methanesulfonyl chloride
CID 65003231
[1-[(4-chloro-3-fluorophenoxy)methyl]cyclopentyl]methanesulfonamide
CID 82727324
[1-[(4-methoxyphenyl)methoxymethyl]cyclopentyl]methanesulfonyl chloride
CID 65003088
[1-(phenoxymethyl)cyclohexyl]methanesulfonamide
CID 65006602
[1-[(2-fluorophenyl)methoxymethyl]cyclohexyl]methanesulfonyl chloride
CID 65006748

Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluorophenoxy)methyl]cyclopentyl]methanesulfonyl chloride?
The IUPAC name of [1-[(4-fluorophenoxy)methyl]cyclopentyl]methanesulfonyl chloride (CID 65001575) is [1-[(4-fluorophenoxy)methyl]cyclopentyl]methanesulfonyl chloride.
What is the SMILES notation for [1-[(4-fluorophenoxy)methyl]cyclopentyl]methanesulfonyl chloride?
The canonical SMILES for [1-[(4-fluorophenoxy)methyl]cyclopentyl]methanesulfonyl chloride is O=S(=O)(Cl)CC1(COc2ccc(F)cc2)CCCC1.
What is the InChIKey of [1-[(4-fluorophenoxy)methyl]cyclopentyl]methanesulfonyl chloride?
The InChIKey is YLGDNQLUQOAPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFO3S/c14-19(16,17)10-13(7-1-2-8-13)9-18-12-5-3-11(15)4-6-12/h3-6H,1-2,7-10H2.
What are the key properties of [1-[(4-fluorophenoxy)methyl]cyclopentyl]methanesulfonyl chloride?
[1-[(4-fluorophenoxy)methyl]cyclopentyl]methanesulfonyl chloride has a molecular weight of 306.79 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-fluorophenoxy)methyl]cyclopentyl]methanesulfonyl chloride is sourced from PubChem (CID 65001575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).