2-fluoro-2-(4-methylphenyl)ethanesulfonyl chloride

C9H10ClFO2S — CID 105498377

IUPAC2-fluoro-2-(4-methylphenyl)ethanesulfonyl chloride
SMILESCc1ccc(C(F)CS(=O)(=O)Cl)cc1
InChIInChI=1S/C9H10ClFO2S/c1-7-2-4-8(5-3-7)9(11)6-14(10,12)13/h2-5,9H,6H2,1H3
InChIKeyRAFXQMDHNFOPCM-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.57
Rot. Bonds3

About 2-fluoro-2-(4-methylphenyl)ethanesulfonyl chloride

2-fluoro-2-(4-methylphenyl)ethanesulfonyl chloride (PubChem CID 105498377) has the molecular formula C9H10ClFO2S and a molecular weight of 236.70 g/mol. Its IUPAC name is 2-fluoro-2-(4-methylphenyl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-fluoro-2-(4-methylphenyl)ethanesulfonyl chloride
PubChem CID105498377
Molecular FormulaC9H10ClFO2S
Molecular Weight236.70 g/mol
Exact Mass236.01
IUPAC Name2-fluoro-2-(4-methylphenyl)ethanesulfonyl chloride
SMILESCc1ccc(C(F)CS(=O)(=O)Cl)cc1
InChIInChI=1S/C9H10ClFO2S/c1-7-2-4-8(5-3-7)9(11)6-14(10,12)13/h2-5,9H,6H2,1H3
InChIKeyRAFXQMDHNFOPCM-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethylsulfonyl-1-(4-methylphenyl)ethanamine
CID 64646967
[4-(1-fluoroethyl)phenyl]methanesulfonyl chloride
CID 117345802
1-methyl-4-pentylbenzene;sulfuryl dichloride
CID 174918567
ethyl 2-fluoro-2-(4-methylphenyl)acetate
CID 15712195
3,3-dimethyl-2-[(4-methylphenoxy)methyl]butane-1-sulfonyl chloride
CID 65015545
fluoromethane;4-methylbenzenesulfonyl chloride
CID 91127409
chloro-(4-methylphenyl)methanesulfonamide
CID 146442868
[fluoro-(4-methylphenyl)methyl]phosphane
CID 144982397
(1R)-2-chloro-1-(4-methylphenyl)ethanol
CID 79006103
1,1-difluoroethane;1,4-xylene
CID 169209229
1-chloro-N-[1-(4-methylphenyl)ethyl]methanesulfonamide
CID 63665593
1-[1-fluoro-2-(4-methylphenyl)ethyl]-4-phenylbenzene
CID 122392011

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(4-methylphenyl)ethanesulfonyl chloride?
The IUPAC name of 2-fluoro-2-(4-methylphenyl)ethanesulfonyl chloride (CID 105498377) is 2-fluoro-2-(4-methylphenyl)ethanesulfonyl chloride.
What is the SMILES notation for 2-fluoro-2-(4-methylphenyl)ethanesulfonyl chloride?
The canonical SMILES for 2-fluoro-2-(4-methylphenyl)ethanesulfonyl chloride is Cc1ccc(C(F)CS(=O)(=O)Cl)cc1.
What is the InChIKey of 2-fluoro-2-(4-methylphenyl)ethanesulfonyl chloride?
The InChIKey is RAFXQMDHNFOPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFO2S/c1-7-2-4-8(5-3-7)9(11)6-14(10,12)13/h2-5,9H,6H2,1H3.
What are the key properties of 2-fluoro-2-(4-methylphenyl)ethanesulfonyl chloride?
2-fluoro-2-(4-methylphenyl)ethanesulfonyl chloride has a molecular weight of 236.70 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(4-methylphenyl)ethanesulfonyl chloride is sourced from PubChem (CID 105498377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).