(2-chloro-6-fluorophenyl)methyl 2-hydroxy-2,2-diphenylacetate

C21H16ClFO3 — CID 4781979

IUPAC(2-chloro-6-fluorophenyl)methyl 2-hydroxy-2,2-diphenylacetate
SMILESO=C(OCc1c(F)cccc1Cl)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16ClFO3/c22-18-12-7-13-19(23)17(18)14-26-20(24)21(25,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13,25H,14H2
InChIKeyTWCFTLCPDKPZAK-UHFFFAOYSA-N
MW370.81 g/mol
LogP4.46
Rot. Bonds5

About (2-chloro-6-fluorophenyl)methyl 2-hydroxy-2,2-diphenylacetate

(2-chloro-6-fluorophenyl)methyl 2-hydroxy-2,2-diphenylacetate (PubChem CID 4781979) has the molecular formula C21H16ClFO3 and a molecular weight of 370.81 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)methyl 2-hydroxy-2,2-diphenylacetate.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)methyl 2-hydroxy-2,2-diphenylacetate
PubChem CID4781979
Molecular FormulaC21H16ClFO3
Molecular Weight370.81 g/mol
Exact Mass370.08
IUPAC Name(2-chloro-6-fluorophenyl)methyl 2-hydroxy-2,2-diphenylacetate
SMILESO=C(OCc1c(F)cccc1Cl)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16ClFO3/c22-18-12-7-13-19(23)17(18)14-26-20(24)21(25,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13,25H,14H2
InChIKeyTWCFTLCPDKPZAK-UHFFFAOYSA-N
XLogP4.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.81
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)methyl 2-hydroxy-2,2-diphenylacetate?
The IUPAC name of (2-chloro-6-fluorophenyl)methyl 2-hydroxy-2,2-diphenylacetate (CID 4781979) is (2-chloro-6-fluorophenyl)methyl 2-hydroxy-2,2-diphenylacetate.
What is the SMILES notation for (2-chloro-6-fluorophenyl)methyl 2-hydroxy-2,2-diphenylacetate?
The canonical SMILES for (2-chloro-6-fluorophenyl)methyl 2-hydroxy-2,2-diphenylacetate is O=C(OCc1c(F)cccc1Cl)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-chloro-6-fluorophenyl)methyl 2-hydroxy-2,2-diphenylacetate?
The InChIKey is TWCFTLCPDKPZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFO3/c22-18-12-7-13-19(23)17(18)14-26-20(24)21(25,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13,25H,14H2.
What are the key properties of (2-chloro-6-fluorophenyl)methyl 2-hydroxy-2,2-diphenylacetate?
(2-chloro-6-fluorophenyl)methyl 2-hydroxy-2,2-diphenylacetate has a molecular weight of 370.81 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)methyl 2-hydroxy-2,2-diphenylacetate is sourced from PubChem (CID 4781979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).