(2-chlorophenyl)methyl 2,2-difluoro-2-fluorosulfonylacetate

C9H6ClF3O4S — CID 10447679

IUPAC(2-chlorophenyl)methyl 2,2-difluoro-2-fluorosulfonylacetate
SMILESO=C(OCc1ccccc1Cl)C(F)(F)S(=O)(=O)F
InChIInChI=1S/C9H6ClF3O4S/c10-7-4-2-1-3-6(7)5-17-8(14)9(11,12)18(13,15)16/h1-4H,5H2
InChIKeyRSFWISBBGMLGTA-UHFFFAOYSA-N
MW302.66 g/mol
LogP2.28
Rot. Bonds4

About (2-chlorophenyl)methyl 2,2-difluoro-2-fluorosulfonylacetate

(2-chlorophenyl)methyl 2,2-difluoro-2-fluorosulfonylacetate (PubChem CID 10447679) has the molecular formula C9H6ClF3O4S and a molecular weight of 302.66 g/mol. Its IUPAC name is (2-chlorophenyl)methyl 2,2-difluoro-2-fluorosulfonylacetate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl 2,2-difluoro-2-fluorosulfonylacetate
PubChem CID10447679
Molecular FormulaC9H6ClF3O4S
Molecular Weight302.66 g/mol
Exact Mass301.96
IUPAC Name(2-chlorophenyl)methyl 2,2-difluoro-2-fluorosulfonylacetate
SMILESO=C(OCc1ccccc1Cl)C(F)(F)S(=O)(=O)F
InChIInChI=1S/C9H6ClF3O4S/c10-7-4-2-1-3-6(7)5-17-8(14)9(11,12)18(13,15)16/h1-4H,5H2
InChIKeyRSFWISBBGMLGTA-UHFFFAOYSA-N
XLogP2.28
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.66
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Trifluoroacetic acid, 4-chlorobenzyl ester
CID 580613
2-Chloro-6-fluorobenzyl alcohol, chlorodifluoroacetate
CID 91718292
2,5-Dichlorobenzyl alcohol, trifluoroacetate
CID 91723364
2,6-Dichlorobenzyl alcohol, chlorodifluoroacetate
CID 91723365
2,6-Dichlorobenzyl alcohol, heptafluorobutyrate
CID 91723366
2,6-Dichlorobenzyl alcohol, pentafluoropropionate
CID 91723367
2,6-Dichlorobenzyl alcohol, trifluoroacetate
CID 91723368
2,4-Dichlorobenzyl alcohol, trifluoroacetate
CID 91723372
2-Chloro-6-fluorobenzyl acetate
CID 2780126
Benzyl 2,2-difluoro-2-fluorosulfonylacetate
CID 10084372
[6-(2-chlorophenyl)-3,6-dihydro-2H-pyran-4-yl] trifluoromethanesulfonate
CID 154711873
(3-Methylphenyl)methyl 2,2-difluoro-2-fluorosulfonylacetate
CID 9970986

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl 2,2-difluoro-2-fluorosulfonylacetate?
The IUPAC name of (2-chlorophenyl)methyl 2,2-difluoro-2-fluorosulfonylacetate (CID 10447679) is (2-chlorophenyl)methyl 2,2-difluoro-2-fluorosulfonylacetate.
What is the SMILES notation for (2-chlorophenyl)methyl 2,2-difluoro-2-fluorosulfonylacetate?
The canonical SMILES for (2-chlorophenyl)methyl 2,2-difluoro-2-fluorosulfonylacetate is O=C(OCc1ccccc1Cl)C(F)(F)S(=O)(=O)F.
What is the InChIKey of (2-chlorophenyl)methyl 2,2-difluoro-2-fluorosulfonylacetate?
The InChIKey is RSFWISBBGMLGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF3O4S/c10-7-4-2-1-3-6(7)5-17-8(14)9(11,12)18(13,15)16/h1-4H,5H2.
What are the key properties of (2-chlorophenyl)methyl 2,2-difluoro-2-fluorosulfonylacetate?
(2-chlorophenyl)methyl 2,2-difluoro-2-fluorosulfonylacetate has a molecular weight of 302.66 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl 2,2-difluoro-2-fluorosulfonylacetate is sourced from PubChem (CID 10447679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).