2-methyl-4-(3,3,3-trifluoropropoxy)benzenesulfonyl chloride

C10H10ClF3O3S — CID 64554785

IUPAC2-methyl-4-(3,3,3-trifluoropropoxy)benzenesulfonyl chloride
SMILESCc1cc(OCCC(F)(F)F)ccc1S(=O)(=O)Cl
InChIInChI=1S/C10H10ClF3O3S/c1-7-6-8(17-5-4-10(12,13)14)2-3-9(7)18(11,15)16/h2-3,6H,4-5H2,1H3
InChIKeyKAMMKAOGAPXWNZ-UHFFFAOYSA-N
MW302.70 g/mol
LogP3.25
Rot. Bonds4

About 2-methyl-4-(3,3,3-trifluoropropoxy)benzenesulfonyl chloride

2-methyl-4-(3,3,3-trifluoropropoxy)benzenesulfonyl chloride (PubChem CID 64554785) has the molecular formula C10H10ClF3O3S and a molecular weight of 302.70 g/mol. Its IUPAC name is 2-methyl-4-(3,3,3-trifluoropropoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-methyl-4-(3,3,3-trifluoropropoxy)benzenesulfonyl chloride
PubChem CID64554785
Molecular FormulaC10H10ClF3O3S
Molecular Weight302.70 g/mol
Exact Mass302.00
IUPAC Name2-methyl-4-(3,3,3-trifluoropropoxy)benzenesulfonyl chloride
SMILESCc1cc(OCCC(F)(F)F)ccc1S(=O)(=O)Cl
InChIInChI=1S/C10H10ClF3O3S/c1-7-6-8(17-5-4-10(12,13)14)2-3-9(7)18(11,15)16/h2-3,6H,4-5H2,1H3
InChIKeyKAMMKAOGAPXWNZ-UHFFFAOYSA-N
XLogP3.25
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.70
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(4,4,4-trifluorobutoxy)benzenesulfonyl chloride
CID 113326282
4-(3-fluoropropoxy)-2-methylbenzenesulfonyl chloride
CID 81106046
2-methyl-4-(2-propan-2-ylsulfonylethoxy)benzenesulfonyl chloride
CID 106722837
2-methyl-5-propan-2-yl-4-(3,3,3-trifluoropropoxy)benzenesulfonyl chloride
CID 64553762
4-[(E)-but-2-enoxy]-2-methylbenzenesulfonyl chloride
CID 82915922
2-methyl-4-(2-methylbutoxy)benzenesulfonyl chloride
CID 82911652
4-[(5-chloro-2-fluorophenyl)methoxy]-2-methylbenzenesulfonyl chloride
CID 103046517
4-[(2-chlorophenyl)methoxy]-2-methylbenzenesulfonyl chloride
CID 60725527
4-(2-fluoroethoxy)-2-methylbenzenesulfonamide
CID 80694123
4-[(3-chloro-2-fluorophenyl)methoxy]-2-methylbenzenesulfonyl chloride
CID 102855855
2-bromo-1,3-dimethyl-5-(3,3,3-trifluoropropoxy)benzene
CID 107723472
4-(4-chloro-3,5-dimethylphenoxy)-2-methylbenzenesulfonyl chloride
CID 43436519

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3,3,3-trifluoropropoxy)benzenesulfonyl chloride?
The IUPAC name of 2-methyl-4-(3,3,3-trifluoropropoxy)benzenesulfonyl chloride (CID 64554785) is 2-methyl-4-(3,3,3-trifluoropropoxy)benzenesulfonyl chloride.
What is the SMILES notation for 2-methyl-4-(3,3,3-trifluoropropoxy)benzenesulfonyl chloride?
The canonical SMILES for 2-methyl-4-(3,3,3-trifluoropropoxy)benzenesulfonyl chloride is Cc1cc(OCCC(F)(F)F)ccc1S(=O)(=O)Cl.
What is the InChIKey of 2-methyl-4-(3,3,3-trifluoropropoxy)benzenesulfonyl chloride?
The InChIKey is KAMMKAOGAPXWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3O3S/c1-7-6-8(17-5-4-10(12,13)14)2-3-9(7)18(11,15)16/h2-3,6H,4-5H2,1H3.
What are the key properties of 2-methyl-4-(3,3,3-trifluoropropoxy)benzenesulfonyl chloride?
2-methyl-4-(3,3,3-trifluoropropoxy)benzenesulfonyl chloride has a molecular weight of 302.70 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3,3,3-trifluoropropoxy)benzenesulfonyl chloride is sourced from PubChem (CID 64554785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).