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

C15H18F2O2 — CID 163210304

IUPACethyl (Z)-2,2-difluoro-4-(4-propylphenyl)but-3-enoate
SMILESCCCc1ccc(/C=C\C(F)(F)C(=O)OCC)cc1
InChIInChI=1S/C15H18F2O2/c1-3-5-12-6-8-13(9-7-12)10-11-15(16,17)14(18)19-4-2/h6-11H,3-5H2,1-2H3/b11-10-
InChIKeyOICNTZXGUCFOOH-KHPPLWFESA-N
MW268.30 g/mol
LogP3.85
Rot. Bonds6

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

ethyl (Z)-2,2-difluoro-4-(4-propylphenyl)but-3-enoate (PubChem CID 163210304) has the molecular formula C15H18F2O2 and a molecular weight of 268.30 g/mol. Its IUPAC name is ethyl (Z)-2,2-difluoro-4-(4-propylphenyl)but-3-enoate.

Molecular Properties

Compound Nameethyl (Z)-2,2-difluoro-4-(4-propylphenyl)but-3-enoate
PubChem CID163210304
Molecular FormulaC15H18F2O2
Molecular Weight268.30 g/mol
Exact Mass268.13
IUPAC Nameethyl (Z)-2,2-difluoro-4-(4-propylphenyl)but-3-enoate
SMILESCCCc1ccc(/C=C\C(F)(F)C(=O)OCC)cc1
InChIInChI=1S/C15H18F2O2/c1-3-5-12-6-8-13(9-7-12)10-11-15(16,17)14(18)19-4-2/h6-11H,3-5H2,1-2H3/b11-10-
InChIKeyOICNTZXGUCFOOH-KHPPLWFESA-N
XLogP3.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 53.85
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-phenylphenyl)but-3-enoate
CID 163210308
ethyl (E)-2,2-difluoro-4-[4-(trifluoromethoxy)phenyl]but-3-enoate
CID 132938050
ethyl 2,2-difluoro-2-(4-propylphenoxy)acetate
CID 66453939
2-[(E)-3-(4-propylphenyl)prop-2-enoyl]oxyethyl 2,2-dimethylbutanoate
CID 153307195
ethyl 2-methyl-2-(4-propylbenzenecarbothioyl)sulfanylpropanoate
CID 122588545
(E)-3-(4-propylphenyl)-N'-[(E)-3-(4-propylphenyl)prop-2-enoyl]prop-2-enehydrazide
CID 21406109
ethyl 2-(4-butylphenoxy)-2,2-difluoroacetate
CID 113322624
ethyl 3-(4-hexylphenyl)prop-2-enoate
CID 72756118
ethyl (Z)-3-(4-hexylphenyl)prop-2-enoate
CID 11219172
4-[(E)-2-(4-propylphenyl)ethenyl]aniline
CID 143367381
methanol;(E)-3-(4-propylphenyl)prop-2-enal
CID 143472715

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2,2-difluoro-4-(4-propylphenyl)but-3-enoate?
The IUPAC name of ethyl (Z)-2,2-difluoro-4-(4-propylphenyl)but-3-enoate (CID 163210304) is ethyl (Z)-2,2-difluoro-4-(4-propylphenyl)but-3-enoate.
What is the SMILES notation for ethyl (Z)-2,2-difluoro-4-(4-propylphenyl)but-3-enoate?
The canonical SMILES for ethyl (Z)-2,2-difluoro-4-(4-propylphenyl)but-3-enoate is CCCc1ccc(/C=C\C(F)(F)C(=O)OCC)cc1.
What is the InChIKey of ethyl (Z)-2,2-difluoro-4-(4-propylphenyl)but-3-enoate?
The InChIKey is OICNTZXGUCFOOH-KHPPLWFESA-N. The full InChI is InChI=1S/C15H18F2O2/c1-3-5-12-6-8-13(9-7-12)10-11-15(16,17)14(18)19-4-2/h6-11H,3-5H2,1-2H3/b11-10-.
What are the key properties of ethyl (Z)-2,2-difluoro-4-(4-propylphenyl)but-3-enoate?
ethyl (Z)-2,2-difluoro-4-(4-propylphenyl)but-3-enoate has a molecular weight of 268.30 g/mol, XLogP of 3.85, 6 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-propylphenyl)but-3-enoate is sourced from PubChem (CID 163210304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).