[1-[(3-fluorophenoxy)methyl]cycloheptyl]methanesulfonyl chloride

C15H20ClFO3S — CID 65010038

IUPAC[1-[(3-fluorophenoxy)methyl]cycloheptyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1(COc2cccc(F)c2)CCCCCC1
InChIInChI=1S/C15H20ClFO3S/c16-21(18,19)12-15(8-3-1-2-4-9-15)11-20-14-7-5-6-13(17)10-14/h5-7,10H,1-4,8-9,11-12H2
InChIKeyUJKZZLMIAFEXPH-UHFFFAOYSA-N
MW334.84 g/mol
LogP4.11
Rot. Bonds5

About [1-[(3-fluorophenoxy)methyl]cycloheptyl]methanesulfonyl chloride

[1-[(3-fluorophenoxy)methyl]cycloheptyl]methanesulfonyl chloride (PubChem CID 65010038) has the molecular formula C15H20ClFO3S and a molecular weight of 334.84 g/mol. Its IUPAC name is [1-[(3-fluorophenoxy)methyl]cycloheptyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-[(3-fluorophenoxy)methyl]cycloheptyl]methanesulfonyl chloride
PubChem CID65010038
Molecular FormulaC15H20ClFO3S
Molecular Weight334.84 g/mol
Exact Mass334.08
IUPAC Name[1-[(3-fluorophenoxy)methyl]cycloheptyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1(COc2cccc(F)c2)CCCCCC1
InChIInChI=1S/C15H20ClFO3S/c16-21(18,19)12-15(8-3-1-2-4-9-15)11-20-14-7-5-6-13(17)10-14/h5-7,10H,1-4,8-9,11-12H2
InChIKeyUJKZZLMIAFEXPH-UHFFFAOYSA-N
XLogP4.11
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.84
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(3-methylphenoxy)methyl]cycloheptyl]methanesulfonyl chloride
CID 65009941
[1-[(4-fluorophenoxy)methyl]cyclopentyl]methanesulfonyl chloride
CID 65001575
[1-[(2,4-difluorophenoxy)methyl]cyclohexyl]methanesulfonyl chloride
CID 65007281
1-[(3-fluorophenoxy)methyl]cyclohexan-1-ol
CID 65213847
[1-[(3,4-dichlorophenoxy)methyl]cyclopentyl]methanesulfonyl chloride
CID 65002646
[1-[(3-chlorophenoxy)methyl]cycloheptyl]methanesulfonamide
CID 65010191
[1-[(4-methoxyphenoxy)methyl]cyclopentyl]methanesulfonyl chloride
CID 65002637
[1-(2-phenoxyethoxymethyl)cyclopentyl]methanesulfonyl chloride
CID 65003231
2-[1-[(3-fluorophenoxy)methyl]cyclopropyl]acetic acid
CID 65497401
[1-(phenoxymethyl)cyclohexyl]methanesulfonamide
CID 65006602
[1-[(2,4-dimethylphenoxy)methyl]cyclohexyl]methanesulfonyl chloride
CID 65006888
[1-[(2-fluorophenyl)methoxymethyl]cyclohexyl]methanesulfonyl chloride
CID 65006748

Frequently Asked Questions

What is the IUPAC name of [1-[(3-fluorophenoxy)methyl]cycloheptyl]methanesulfonyl chloride?
The IUPAC name of [1-[(3-fluorophenoxy)methyl]cycloheptyl]methanesulfonyl chloride (CID 65010038) is [1-[(3-fluorophenoxy)methyl]cycloheptyl]methanesulfonyl chloride.
What is the SMILES notation for [1-[(3-fluorophenoxy)methyl]cycloheptyl]methanesulfonyl chloride?
The canonical SMILES for [1-[(3-fluorophenoxy)methyl]cycloheptyl]methanesulfonyl chloride is O=S(=O)(Cl)CC1(COc2cccc(F)c2)CCCCCC1.
What is the InChIKey of [1-[(3-fluorophenoxy)methyl]cycloheptyl]methanesulfonyl chloride?
The InChIKey is UJKZZLMIAFEXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFO3S/c16-21(18,19)12-15(8-3-1-2-4-9-15)11-20-14-7-5-6-13(17)10-14/h5-7,10H,1-4,8-9,11-12H2.
What are the key properties of [1-[(3-fluorophenoxy)methyl]cycloheptyl]methanesulfonyl chloride?
[1-[(3-fluorophenoxy)methyl]cycloheptyl]methanesulfonyl chloride has a molecular weight of 334.84 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-fluorophenoxy)methyl]cycloheptyl]methanesulfonyl chloride is sourced from PubChem (CID 65010038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).