[4-(2,2-difluoropropyl)phenyl]methanesulfonyl chloride

C10H11ClF2O2S — CID 117425179

IUPAC[4-(2,2-difluoropropyl)phenyl]methanesulfonyl chloride
SMILESCC(F)(F)Cc1ccc(CS(=O)(=O)Cl)cc1
InChIInChI=1S/C10H11ClF2O2S/c1-10(12,13)6-8-2-4-9(5-3-8)7-16(11,14)15/h2-5H,6-7H2,1H3
InChIKeyCRAWTOCKUDRTNK-UHFFFAOYSA-N
MW268.71 g/mol
LogP2.95
Rot. Bonds4

About [4-(2,2-difluoropropyl)phenyl]methanesulfonyl chloride

[4-(2,2-difluoropropyl)phenyl]methanesulfonyl chloride (PubChem CID 117425179) has the molecular formula C10H11ClF2O2S and a molecular weight of 268.71 g/mol. Its IUPAC name is [4-(2,2-difluoropropyl)phenyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[4-(2,2-difluoropropyl)phenyl]methanesulfonyl chloride
PubChem CID117425179
Molecular FormulaC10H11ClF2O2S
Molecular Weight268.71 g/mol
Exact Mass268.01
IUPAC Name[4-(2,2-difluoropropyl)phenyl]methanesulfonyl chloride
SMILESCC(F)(F)Cc1ccc(CS(=O)(=O)Cl)cc1
InChIInChI=1S/C10H11ClF2O2S/c1-10(12,13)6-8-2-4-9(5-3-8)7-16(11,14)15/h2-5H,6-7H2,1H3
InChIKeyCRAWTOCKUDRTNK-UHFFFAOYSA-N
XLogP2.95
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.71
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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[4-(1-fluoroethyl)phenyl]methanesulfonyl chloride
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[4-(2,2-difluoropropyl)phenyl]methanamine
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(4-propan-2-ylphenyl)methanesulfonyl chloride
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[3-(1,1-difluoroethyl)-4-methoxyphenyl]methanesulfonyl chloride
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[3-(2,2,2-trifluoroethyl)phenyl]methanesulfonyl chloride
CID 84713401
1-(2,2-difluoropropyl)-4-methylbenzene;ethane;methanol
CID 143347604
[3-(2-hydroxy-2-methylpropyl)phenyl]methanesulfonyl chloride
CID 117117239
(4-fluoro-3-methylphenyl)methanesulfonyl chloride
CID 62119949
(3,4-diethylphenyl)methanesulfonyl chloride
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Frequently Asked Questions

What is the IUPAC name of [4-(2,2-difluoropropyl)phenyl]methanesulfonyl chloride?
The IUPAC name of [4-(2,2-difluoropropyl)phenyl]methanesulfonyl chloride (CID 117425179) is [4-(2,2-difluoropropyl)phenyl]methanesulfonyl chloride.
What is the SMILES notation for [4-(2,2-difluoropropyl)phenyl]methanesulfonyl chloride?
The canonical SMILES for [4-(2,2-difluoropropyl)phenyl]methanesulfonyl chloride is CC(F)(F)Cc1ccc(CS(=O)(=O)Cl)cc1.
What is the InChIKey of [4-(2,2-difluoropropyl)phenyl]methanesulfonyl chloride?
The InChIKey is CRAWTOCKUDRTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF2O2S/c1-10(12,13)6-8-2-4-9(5-3-8)7-16(11,14)15/h2-5H,6-7H2,1H3.
What are the key properties of [4-(2,2-difluoropropyl)phenyl]methanesulfonyl chloride?
[4-(2,2-difluoropropyl)phenyl]methanesulfonyl chloride has a molecular weight of 268.71 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-difluoropropyl)phenyl]methanesulfonyl chloride is sourced from PubChem (CID 117425179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).