ethyl (Z)-2,2-difluoro-4-(4-phenylphenyl)but-3-enoate

C18H16F2O2 — CID 163210308

IUPACethyl (Z)-2,2-difluoro-4-(4-phenylphenyl)but-3-enoate
SMILESCCOC(=O)C(F)(F)/C=C\c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H16F2O2/c1-2-22-17(21)18(19,20)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-13H,2H2,1H3/b13-12-
InChIKeyGFXZUBKOIDTWNM-SEYXRHQNSA-N
MW302.32 g/mol
LogP4.57
Rot. Bonds5

About ethyl (Z)-2,2-difluoro-4-(4-phenylphenyl)but-3-enoate

ethyl (Z)-2,2-difluoro-4-(4-phenylphenyl)but-3-enoate (PubChem CID 163210308) has the molecular formula C18H16F2O2 and a molecular weight of 302.32 g/mol. Its IUPAC name is ethyl (Z)-2,2-difluoro-4-(4-phenylphenyl)but-3-enoate.

Molecular Properties

Compound Nameethyl (Z)-2,2-difluoro-4-(4-phenylphenyl)but-3-enoate
PubChem CID163210308
Molecular FormulaC18H16F2O2
Molecular Weight302.32 g/mol
Exact Mass302.11
IUPAC Nameethyl (Z)-2,2-difluoro-4-(4-phenylphenyl)but-3-enoate
SMILESCCOC(=O)C(F)(F)/C=C\c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H16F2O2/c1-2-22-17(21)18(19,20)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-13H,2H2,1H3/b13-12-
InChIKeyGFXZUBKOIDTWNM-SEYXRHQNSA-N
XLogP4.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl (E)-2,2-difluoro-4-(4-methylphenyl)but-3-enoate
CID 132937364
ethyl (Z)-2,2-difluoro-4-(4-propylphenyl)but-3-enoate
CID 163210304
ethyl (E)-2,2-difluoro-4-[4-(trifluoromethoxy)phenyl]but-3-enoate
CID 132938050
ethyl 3-hydroxy-3-methyl-5-phenylpent-4-enoate
CID 66650377
ethyl (E,2R,3R)-2-acetyl-2-fluoro-3-methyl-5-phenylpent-4-enoate
CID 102471768
ethyl 2-methyl-2-[4-[3-(4-phenylphenyl)prop-2-enoxy]phenoxy]butanoate
CID 72792063
diethyl 2-benzyl-2-[(E)-2-(4-methoxyphenyl)ethenyl]propanedioate
CID 11451869
diethyl (E)-4,4-difluoro-2-phenylpent-2-enedioate
CID 162408755
ethyl 2-[4-[4-(2-ethoxy-1,1-difluoro-2-oxoethyl)phenyl]phenyl]-2,2-difluoroacetate
CID 58543748
ethyl (E)-2,2-dimethyl-3-oxo-5-phenylpent-4-enoate
CID 102065413
diethyl 2-methyl-2-[(E)-3-phenylprop-2-enyl]propanedioate
CID 10957226
diethyl 2-methyl-2-[(4-phenylphenyl)methoxy]propanedioate
CID 67230867

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2,2-difluoro-4-(4-phenylphenyl)but-3-enoate?
The IUPAC name of ethyl (Z)-2,2-difluoro-4-(4-phenylphenyl)but-3-enoate (CID 163210308) is ethyl (Z)-2,2-difluoro-4-(4-phenylphenyl)but-3-enoate.
What is the SMILES notation for ethyl (Z)-2,2-difluoro-4-(4-phenylphenyl)but-3-enoate?
The canonical SMILES for ethyl (Z)-2,2-difluoro-4-(4-phenylphenyl)but-3-enoate is CCOC(=O)C(F)(F)/C=C\c1ccc(-c2ccccc2)cc1.
What is the InChIKey of ethyl (Z)-2,2-difluoro-4-(4-phenylphenyl)but-3-enoate?
The InChIKey is GFXZUBKOIDTWNM-SEYXRHQNSA-N. The full InChI is InChI=1S/C18H16F2O2/c1-2-22-17(21)18(19,20)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-13H,2H2,1H3/b13-12-.
What are the key properties of ethyl (Z)-2,2-difluoro-4-(4-phenylphenyl)but-3-enoate?
ethyl (Z)-2,2-difluoro-4-(4-phenylphenyl)but-3-enoate has a molecular weight of 302.32 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2,2-difluoro-4-(4-phenylphenyl)but-3-enoate is sourced from PubChem (CID 163210308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).