(2-fluorocyclohexyl)methanesulfonyl chloride

C7H12ClFO2S — CID 84734884

IUPAC(2-fluorocyclohexyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1CCCCC1F
InChIInChI=1S/C7H12ClFO2S/c8-12(10,11)5-6-3-1-2-4-7(6)9/h6-7H,1-5H2
InChIKeyDHUSJHLYKNVKMH-UHFFFAOYSA-N
MW214.69 g/mol
LogP2.08
Rot. Bonds2

About (2-fluorocyclohexyl)methanesulfonyl chloride

(2-fluorocyclohexyl)methanesulfonyl chloride (PubChem CID 84734884) has the molecular formula C7H12ClFO2S and a molecular weight of 214.69 g/mol. Its IUPAC name is (2-fluorocyclohexyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(2-fluorocyclohexyl)methanesulfonyl chloride
PubChem CID84734884
Molecular FormulaC7H12ClFO2S
Molecular Weight214.69 g/mol
Exact Mass214.02
IUPAC Name(2-fluorocyclohexyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1CCCCC1F
InChIInChI=1S/C7H12ClFO2S/c8-12(10,11)5-6-3-1-2-4-7(6)9/h6-7H,1-5H2
InChIKeyDHUSJHLYKNVKMH-UHFFFAOYSA-N
XLogP2.08
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.69
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2-fluorocyclohexyl)methanesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-fluorocyclohexyl)methanesulfonic acid
CID 87155584
cyclopentylmethanesulfonyl chloride
CID 2735404
(2-methylcyclopentyl)methanesulfonyl chloride
CID 84667340
2-ethylcyclohexane-1-sulfonyl chloride
CID 63863375
4-(chlorosulfonylmethyl)cyclohexane-1-carboxylic acid
CID 146591090
trans-(1S,2R)-1-ethyl-2-fluoro-4-[[(2S)-2-fluorocyclohexyl]methyl]cyclohexane
CID 170210300
1-fluoro-2-(2-fluorocyclohexyl)sulfonylcyclohexane
CID 66796028
4-[(2-fluorocyclohexyl)methyl]benzenesulfonic acid
CID 87156208
2-bicyclo[2.2.1]hept-5-enylmethanesulfonyl chloride
CID 131082366
cycloheptylmethanesulfonyl fluoride
CID 115019897
1-(2-fluorocyclohexyl)propan-2-ol
CID 89165840
3-(2-fluorocyclohexyl)-2-methylpropanoic acid
CID 84732893

Frequently Asked Questions

What is the IUPAC name of (2-fluorocyclohexyl)methanesulfonyl chloride?
The IUPAC name of (2-fluorocyclohexyl)methanesulfonyl chloride (CID 84734884) is (2-fluorocyclohexyl)methanesulfonyl chloride.
What is the SMILES notation for (2-fluorocyclohexyl)methanesulfonyl chloride?
The canonical SMILES for (2-fluorocyclohexyl)methanesulfonyl chloride is O=S(=O)(Cl)CC1CCCCC1F.
What is the InChIKey of (2-fluorocyclohexyl)methanesulfonyl chloride?
The InChIKey is DHUSJHLYKNVKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClFO2S/c8-12(10,11)5-6-3-1-2-4-7(6)9/h6-7H,1-5H2.
What are the key properties of (2-fluorocyclohexyl)methanesulfonyl chloride?
(2-fluorocyclohexyl)methanesulfonyl chloride has a molecular weight of 214.69 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorocyclohexyl)methanesulfonyl chloride is sourced from PubChem (CID 84734884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).