[4-(1-fluoroethyl)phenyl]methanesulfonyl chloride

C9H10ClFO2S — CID 117345802

IUPAC[4-(1-fluoroethyl)phenyl]methanesulfonyl chloride
SMILESCC(F)c1ccc(CS(=O)(=O)Cl)cc1
InChIInChI=1S/C9H10ClFO2S/c1-7(11)9-4-2-8(3-5-9)6-14(10,12)13/h2-5,7H,6H2,1H3
InChIKeyMQFGNFCAJKEKKA-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.79
Rot. Bonds3

About [4-(1-fluoroethyl)phenyl]methanesulfonyl chloride

[4-(1-fluoroethyl)phenyl]methanesulfonyl chloride (PubChem CID 117345802) has the molecular formula C9H10ClFO2S and a molecular weight of 236.70 g/mol. Its IUPAC name is [4-(1-fluoroethyl)phenyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[4-(1-fluoroethyl)phenyl]methanesulfonyl chloride
PubChem CID117345802
Molecular FormulaC9H10ClFO2S
Molecular Weight236.70 g/mol
Exact Mass236.01
IUPAC Name[4-(1-fluoroethyl)phenyl]methanesulfonyl chloride
SMILESCC(F)c1ccc(CS(=O)(=O)Cl)cc1
InChIInChI=1S/C9H10ClFO2S/c1-7(11)9-4-2-8(3-5-9)6-14(10,12)13/h2-5,7H,6H2,1H3
InChIKeyMQFGNFCAJKEKKA-UHFFFAOYSA-N
XLogP2.79
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-propan-2-ylphenyl)methanesulfonyl chloride
CID 16776213
[4-(2-fluoropropan-2-yl)phenyl]methanesulfonyl chloride
CID 117380123
4-(chlorosulfonylmethyl)benzenesulfonyl fluoride
CID 117062919
[4-(2,2-difluoropropyl)phenyl]methanesulfonyl chloride
CID 117425179
3-[4-(1-fluoroethyl)phenyl]-2-methylpropanoic acid
CID 84677758
1-[4-(difluoromethyl)phenyl]-N-methylmethanesulfonamide
CID 126637013
[3-(1-hydroxyethyl)phenyl]methanesulfonyl chloride
CID 117117225
(4-fluoro-3-methylphenyl)methanesulfonyl chloride
CID 62119949
(3,4-diethylphenyl)methanesulfonyl chloride
CID 117369333
O-[[4-(1-fluoroethyl)phenyl]methyl]hydroxylamine
CID 117276742
(4-propoxyphenyl)methanesulfonyl chloride
CID 114996230
3-[4-(1-fluoroethyl)phenyl]propan-1-amine
CID 84658143

Frequently Asked Questions

What is the IUPAC name of [4-(1-fluoroethyl)phenyl]methanesulfonyl chloride?
The IUPAC name of [4-(1-fluoroethyl)phenyl]methanesulfonyl chloride (CID 117345802) is [4-(1-fluoroethyl)phenyl]methanesulfonyl chloride.
What is the SMILES notation for [4-(1-fluoroethyl)phenyl]methanesulfonyl chloride?
The canonical SMILES for [4-(1-fluoroethyl)phenyl]methanesulfonyl chloride is CC(F)c1ccc(CS(=O)(=O)Cl)cc1.
What is the InChIKey of [4-(1-fluoroethyl)phenyl]methanesulfonyl chloride?
The InChIKey is MQFGNFCAJKEKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFO2S/c1-7(11)9-4-2-8(3-5-9)6-14(10,12)13/h2-5,7H,6H2,1H3.
What are the key properties of [4-(1-fluoroethyl)phenyl]methanesulfonyl chloride?
[4-(1-fluoroethyl)phenyl]methanesulfonyl chloride has a molecular weight of 236.70 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-fluoroethyl)phenyl]methanesulfonyl chloride is sourced from PubChem (CID 117345802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).