ethyl (Z)-4-chloro-3,3-difluoro-5-phenylpent-4-enoate

C13H13ClF2O2 — CID 10989470

IUPACethyl (Z)-4-chloro-3,3-difluoro-5-phenylpent-4-enoate
SMILESCCOC(=O)CC(F)(F)/C(Cl)=C/c1ccccc1
InChIInChI=1S/C13H13ClF2O2/c1-2-18-12(17)9-13(15,16)11(14)8-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3/b11-8-
InChIKeyCEUJVZZNFDQDLG-FLIBITNWSA-N
MW274.69 g/mol
LogP3.85
Rot. Bonds5

About ethyl (Z)-4-chloro-3,3-difluoro-5-phenylpent-4-enoate

ethyl (Z)-4-chloro-3,3-difluoro-5-phenylpent-4-enoate (PubChem CID 10989470) has the molecular formula C13H13ClF2O2 and a molecular weight of 274.69 g/mol. Its IUPAC name is ethyl (Z)-4-chloro-3,3-difluoro-5-phenylpent-4-enoate.

Molecular Properties

Compound Nameethyl (Z)-4-chloro-3,3-difluoro-5-phenylpent-4-enoate
PubChem CID10989470
Molecular FormulaC13H13ClF2O2
Molecular Weight274.69 g/mol
Exact Mass274.06
IUPAC Nameethyl (Z)-4-chloro-3,3-difluoro-5-phenylpent-4-enoate
SMILESCCOC(=O)CC(F)(F)/C(Cl)=C/c1ccccc1
InChIInChI=1S/C13H13ClF2O2/c1-2-18-12(17)9-13(15,16)11(14)8-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3/b11-8-
InChIKeyCEUJVZZNFDQDLG-FLIBITNWSA-N
XLogP3.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.69
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethyl (Z)-4-chloro-3,3-difluoro-5-phenylpent-4-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-hydroxy-3-methyl-5-phenylpent-4-enoate
CID 66650377
ethyl 2-phenoxy-3-phenylprop-2-enoate
CID 72829048
[(Z)-2-ethoxy-3,3,4,4,4-pentafluorobut-1-enyl]benzene
CID 15651904
ethyl (E,3E)-5-phenyl-3-[[4-(trifluoromethyl)phenyl]methylidene]pent-4-enoate
CID 101488311
ethyl (E,3E)-3-benzylidene-5-phenylpent-4-enoate
CID 101488319
diethyl 2-[(Z)-3-chloro-4-phenylbut-3-en-2-yl]propanedioate
CID 10687468
(Z)-2-ethoxycarbonyl-3-phenylprop-2-enoic acid
CID 643851
1-O-ethyl 5-O-methyl (2E)-2-benzylidenepentanedioate
CID 102507617
ethyl 2-(2,3-diphenylprop-2-enoylamino)acetate
CID 4270908
ethyl 5,5-difluoro-5-phenylpentanoate
CID 132538459
ethyl (E)-2,2-dimethyl-3-oxo-5-phenylpent-4-enoate
CID 102065413
ethyl (3R)-3-hydroxy-3-methyl-5-phenylpentanoate
CID 155931906

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-4-chloro-3,3-difluoro-5-phenylpent-4-enoate?
The IUPAC name of ethyl (Z)-4-chloro-3,3-difluoro-5-phenylpent-4-enoate (CID 10989470) is ethyl (Z)-4-chloro-3,3-difluoro-5-phenylpent-4-enoate.
What is the SMILES notation for ethyl (Z)-4-chloro-3,3-difluoro-5-phenylpent-4-enoate?
The canonical SMILES for ethyl (Z)-4-chloro-3,3-difluoro-5-phenylpent-4-enoate is CCOC(=O)CC(F)(F)/C(Cl)=C/c1ccccc1.
What is the InChIKey of ethyl (Z)-4-chloro-3,3-difluoro-5-phenylpent-4-enoate?
The InChIKey is CEUJVZZNFDQDLG-FLIBITNWSA-N. The full InChI is InChI=1S/C13H13ClF2O2/c1-2-18-12(17)9-13(15,16)11(14)8-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3/b11-8-.
What are the key properties of ethyl (Z)-4-chloro-3,3-difluoro-5-phenylpent-4-enoate?
ethyl (Z)-4-chloro-3,3-difluoro-5-phenylpent-4-enoate has a molecular weight of 274.69 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-4-chloro-3,3-difluoro-5-phenylpent-4-enoate is sourced from PubChem (CID 10989470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).