ethyl 2,2-difluoro-3-methyl-4,4-diphenylbut-3-enoate

C19H18F2O2 — CID 164681319

IUPACethyl 2,2-difluoro-3-methyl-4,4-diphenylbut-3-enoate
SMILESCCOC(=O)C(F)(F)C(C)=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18F2O2/c1-3-23-18(22)19(20,21)14(2)17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,3H2,1-2H3
InChIKeyMJFDHSOUIOMXEQ-UHFFFAOYSA-N
MW316.35 g/mol
LogP4.71
Rot. Bonds5

About ethyl 2,2-difluoro-3-methyl-4,4-diphenylbut-3-enoate

ethyl 2,2-difluoro-3-methyl-4,4-diphenylbut-3-enoate (PubChem CID 164681319) has the molecular formula C19H18F2O2 and a molecular weight of 316.35 g/mol. Its IUPAC name is ethyl 2,2-difluoro-3-methyl-4,4-diphenylbut-3-enoate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-3-methyl-4,4-diphenylbut-3-enoate
PubChem CID164681319
Molecular FormulaC19H18F2O2
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Nameethyl 2,2-difluoro-3-methyl-4,4-diphenylbut-3-enoate
SMILESCCOC(=O)C(F)(F)C(C)=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18F2O2/c1-3-23-18(22)19(20,21)14(2)17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,3H2,1-2H3
InChIKeyMJFDHSOUIOMXEQ-UHFFFAOYSA-N
XLogP4.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-3-methyl-4,4-diphenylbut-3-enoate?
The IUPAC name of ethyl 2,2-difluoro-3-methyl-4,4-diphenylbut-3-enoate (CID 164681319) is ethyl 2,2-difluoro-3-methyl-4,4-diphenylbut-3-enoate.
What is the SMILES notation for ethyl 2,2-difluoro-3-methyl-4,4-diphenylbut-3-enoate?
The canonical SMILES for ethyl 2,2-difluoro-3-methyl-4,4-diphenylbut-3-enoate is CCOC(=O)C(F)(F)C(C)=C(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 2,2-difluoro-3-methyl-4,4-diphenylbut-3-enoate?
The InChIKey is MJFDHSOUIOMXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2O2/c1-3-23-18(22)19(20,21)14(2)17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,3H2,1-2H3.
What are the key properties of ethyl 2,2-difluoro-3-methyl-4,4-diphenylbut-3-enoate?
ethyl 2,2-difluoro-3-methyl-4,4-diphenylbut-3-enoate has a molecular weight of 316.35 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-3-methyl-4,4-diphenylbut-3-enoate is sourced from PubChem (CID 164681319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).