4-(1,1-difluoropropyl)benzenesulfonyl chloride

C9H9ClF2O2S — CID 87189843

IUPAC4-(1,1-difluoropropyl)benzenesulfonyl chloride
SMILESCCC(F)(F)c1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C9H9ClF2O2S/c1-2-9(11,12)7-3-5-8(6-4-7)15(10,13)14/h3-6H,2H2,1H3
InChIKeyJGJKXXLAVSAUCT-UHFFFAOYSA-N
MW254.69 g/mol
LogP3.12
Rot. Bonds3

About 4-(1,1-difluoropropyl)benzenesulfonyl chloride

4-(1,1-difluoropropyl)benzenesulfonyl chloride (PubChem CID 87189843) has the molecular formula C9H9ClF2O2S and a molecular weight of 254.69 g/mol. Its IUPAC name is 4-(1,1-difluoropropyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-(1,1-difluoropropyl)benzenesulfonyl chloride
PubChem CID87189843
Molecular FormulaC9H9ClF2O2S
Molecular Weight254.69 g/mol
Exact Mass254.00
IUPAC Name4-(1,1-difluoropropyl)benzenesulfonyl chloride
SMILESCCC(F)(F)c1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C9H9ClF2O2S/c1-2-9(11,12)7-3-5-8(6-4-7)15(10,13)14/h3-6H,2H2,1H3
InChIKeyJGJKXXLAVSAUCT-UHFFFAOYSA-N
XLogP3.12
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.69
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

P-Toluenesulfonamide
CID 6269
p-Toluenesulfonic acid
CID 6101
4-Methylbenzenesulfonyl fluoride
CID 9965
Sodium Xylenesulfonate
CID 23668192
p-Toluenesulfonic acid monohydrate
CID 521998
4-Toluenesulfonyl chloride
CID 7397
Methyl p-toluenesulfonate
CID 6645
4-Ethylbenzenesulfonic acid
CID 7402
Sodium 4-styrenesulfonate
CID 3571582
Ethyl p-methylbenzenesulfonate
CID 6638
4-Isopropylbenzenesulfonic acid
CID 6640
Sodium p-decylbenzenesulfonate
CID 23671430

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoropropyl)benzenesulfonyl chloride?
The IUPAC name of 4-(1,1-difluoropropyl)benzenesulfonyl chloride (CID 87189843) is 4-(1,1-difluoropropyl)benzenesulfonyl chloride.
What is the SMILES notation for 4-(1,1-difluoropropyl)benzenesulfonyl chloride?
The canonical SMILES for 4-(1,1-difluoropropyl)benzenesulfonyl chloride is CCC(F)(F)c1ccc(S(=O)(=O)Cl)cc1.
What is the InChIKey of 4-(1,1-difluoropropyl)benzenesulfonyl chloride?
The InChIKey is JGJKXXLAVSAUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF2O2S/c1-2-9(11,12)7-3-5-8(6-4-7)15(10,13)14/h3-6H,2H2,1H3.
What are the key properties of 4-(1,1-difluoropropyl)benzenesulfonyl chloride?
4-(1,1-difluoropropyl)benzenesulfonyl chloride has a molecular weight of 254.69 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoropropyl)benzenesulfonyl chloride is sourced from PubChem (CID 87189843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).