[1-[(2-fluorophenyl)methoxymethyl]cyclohexyl]methanesulfonyl chloride

C15H20ClFO3S — CID 65006748

IUPAC[1-[(2-fluorophenyl)methoxymethyl]cyclohexyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1(COCc2ccccc2F)CCCCC1
InChIInChI=1S/C15H20ClFO3S/c16-21(18,19)12-15(8-4-1-5-9-15)11-20-10-13-6-2-3-7-14(13)17/h2-3,6-7H,1,4-5,8-12H2
InChIKeyDEUDULPXVKABIS-UHFFFAOYSA-N
MW334.84 g/mol
LogP3.86
Rot. Bonds6

About [1-[(2-fluorophenyl)methoxymethyl]cyclohexyl]methanesulfonyl chloride

[1-[(2-fluorophenyl)methoxymethyl]cyclohexyl]methanesulfonyl chloride (PubChem CID 65006748) has the molecular formula C15H20ClFO3S and a molecular weight of 334.84 g/mol. Its IUPAC name is [1-[(2-fluorophenyl)methoxymethyl]cyclohexyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-[(2-fluorophenyl)methoxymethyl]cyclohexyl]methanesulfonyl chloride
PubChem CID65006748
Molecular FormulaC15H20ClFO3S
Molecular Weight334.84 g/mol
Exact Mass334.08
IUPAC Name[1-[(2-fluorophenyl)methoxymethyl]cyclohexyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1(COCc2ccccc2F)CCCCC1
InChIInChI=1S/C15H20ClFO3S/c16-21(18,19)12-15(8-4-1-5-9-15)11-20-10-13-6-2-3-7-14(13)17/h2-3,6-7H,1,4-5,8-12H2
InChIKeyDEUDULPXVKABIS-UHFFFAOYSA-N
XLogP3.86
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.84
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2-bromophenyl)methoxymethyl]cyclopentyl]methanesulfonyl chloride
CID 82826839
1-[[1-(bromomethyl)cyclopentyl]methoxymethyl]-2-fluorobenzene
CID 65001094
[1-[(4-bromophenyl)methoxymethyl]cyclopentyl]methanesulfonyl chloride
CID 82827480
[1-[(4-methoxyphenyl)methoxymethyl]cyclopentyl]methanesulfonyl chloride
CID 65003088
[1-[(2,4-difluorophenoxy)methyl]cyclohexyl]methanesulfonyl chloride
CID 65007281
[1-[(3-fluorophenoxy)methyl]cycloheptyl]methanesulfonyl chloride
CID 65010038
[1-[(4-fluorophenoxy)methyl]cyclopentyl]methanesulfonyl chloride
CID 65001575
1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene
CID 67509440
[1-(4,4,4-trifluorobutoxymethyl)cyclohexyl]methanesulfonyl chloride
CID 82793786
[1-[(2,6-difluorophenoxy)methyl]cyclohexyl]methanesulfonamide
CID 81265285
[1-[(3-methylphenoxy)methyl]cycloheptyl]methanesulfonyl chloride
CID 65009941
[1-(methoxymethyl)cyclopentyl]methanesulfonyl chloride
CID 65003085

Frequently Asked Questions

What is the IUPAC name of [1-[(2-fluorophenyl)methoxymethyl]cyclohexyl]methanesulfonyl chloride?
The IUPAC name of [1-[(2-fluorophenyl)methoxymethyl]cyclohexyl]methanesulfonyl chloride (CID 65006748) is [1-[(2-fluorophenyl)methoxymethyl]cyclohexyl]methanesulfonyl chloride.
What is the SMILES notation for [1-[(2-fluorophenyl)methoxymethyl]cyclohexyl]methanesulfonyl chloride?
The canonical SMILES for [1-[(2-fluorophenyl)methoxymethyl]cyclohexyl]methanesulfonyl chloride is O=S(=O)(Cl)CC1(COCc2ccccc2F)CCCCC1.
What is the InChIKey of [1-[(2-fluorophenyl)methoxymethyl]cyclohexyl]methanesulfonyl chloride?
The InChIKey is DEUDULPXVKABIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFO3S/c16-21(18,19)12-15(8-4-1-5-9-15)11-20-10-13-6-2-3-7-14(13)17/h2-3,6-7H,1,4-5,8-12H2.
What are the key properties of [1-[(2-fluorophenyl)methoxymethyl]cyclohexyl]methanesulfonyl chloride?
[1-[(2-fluorophenyl)methoxymethyl]cyclohexyl]methanesulfonyl chloride has a molecular weight of 334.84 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-fluorophenyl)methoxymethyl]cyclohexyl]methanesulfonyl chloride is sourced from PubChem (CID 65006748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).