2-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]benzenesulfonyl fluoride

C14H9ClF4O3S — CID 164674635

IUPAC2-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]benzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccccc1COc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H9ClF4O3S/c15-11-7-10(14(16,17)18)5-6-12(11)22-8-9-3-1-2-4-13(9)23(19,20)21/h1-7H,8H2
InChIKeyUJFOJBCZEXTGFA-UHFFFAOYSA-N
MW368.74 g/mol
LogP4.60
Rot. Bonds4

About 2-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]benzenesulfonyl fluoride

2-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]benzenesulfonyl fluoride (PubChem CID 164674635) has the molecular formula C14H9ClF4O3S and a molecular weight of 368.74 g/mol. Its IUPAC name is 2-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]benzenesulfonyl fluoride.

Molecular Properties

Compound Name2-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]benzenesulfonyl fluoride
PubChem CID164674635
Molecular FormulaC14H9ClF4O3S
Molecular Weight368.74 g/mol
Exact Mass367.99
IUPAC Name2-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]benzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccccc1COc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H9ClF4O3S/c15-11-7-10(14(16,17)18)5-6-12(11)22-8-9-3-1-2-4-13(9)23(19,20)21/h1-7H,8H2
InChIKeyUJFOJBCZEXTGFA-UHFFFAOYSA-N
XLogP4.60
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.74
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]benzenesulfonyl fluoride?
The IUPAC name of 2-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]benzenesulfonyl fluoride (CID 164674635) is 2-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]benzenesulfonyl fluoride.
What is the SMILES notation for 2-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]benzenesulfonyl fluoride?
The canonical SMILES for 2-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]benzenesulfonyl fluoride is O=S(=O)(F)c1ccccc1COc1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]benzenesulfonyl fluoride?
The InChIKey is UJFOJBCZEXTGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF4O3S/c15-11-7-10(14(16,17)18)5-6-12(11)22-8-9-3-1-2-4-13(9)23(19,20)21/h1-7H,8H2.
What are the key properties of 2-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]benzenesulfonyl fluoride?
2-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]benzenesulfonyl fluoride has a molecular weight of 368.74 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]benzenesulfonyl fluoride is sourced from PubChem (CID 164674635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).