ethyl (Z)-2-acetyloxy-3-(2,2-difluorocyclopropyl)prop-2-enoate

C10H12F2O4 — CID 171479086

IUPACethyl (Z)-2-acetyloxy-3-(2,2-difluorocyclopropyl)prop-2-enoate
SMILESCCOC(=O)/C(=C/C1CC1(F)F)OC(C)=O
InChIInChI=1S/C10H12F2O4/c1-3-15-9(14)8(16-6(2)13)4-7-5-10(7,11)12/h4,7H,3,5H2,1-2H3/b8-4-
InChIKeyRLUPBLBFCQTOEE-YWEYNIOJSA-N
MW234.20 g/mol
LogP1.65
Rot. Bonds4

About ethyl (Z)-2-acetyloxy-3-(2,2-difluorocyclopropyl)prop-2-enoate

ethyl (Z)-2-acetyloxy-3-(2,2-difluorocyclopropyl)prop-2-enoate (PubChem CID 171479086) has the molecular formula C10H12F2O4 and a molecular weight of 234.20 g/mol. Its IUPAC name is ethyl (Z)-2-acetyloxy-3-(2,2-difluorocyclopropyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-acetyloxy-3-(2,2-difluorocyclopropyl)prop-2-enoate
PubChem CID171479086
Molecular FormulaC10H12F2O4
Molecular Weight234.20 g/mol
Exact Mass234.07
IUPAC Nameethyl (Z)-2-acetyloxy-3-(2,2-difluorocyclopropyl)prop-2-enoate
SMILESCCOC(=O)/C(=C/C1CC1(F)F)OC(C)=O
InChIInChI=1S/C10H12F2O4/c1-3-15-9(14)8(16-6(2)13)4-7-5-10(7,11)12/h4,7H,3,5H2,1-2H3/b8-4-
InChIKeyRLUPBLBFCQTOEE-YWEYNIOJSA-N
XLogP1.65
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.20
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl (Z)-2-acetyloxy-3-(2,2-difluorocyclopropyl)prop-2-enoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-acetyloxy-3-(2,2-difluorocyclopropyl)prop-2-enoate?
The IUPAC name of ethyl (Z)-2-acetyloxy-3-(2,2-difluorocyclopropyl)prop-2-enoate (CID 171479086) is ethyl (Z)-2-acetyloxy-3-(2,2-difluorocyclopropyl)prop-2-enoate.
What is the SMILES notation for ethyl (Z)-2-acetyloxy-3-(2,2-difluorocyclopropyl)prop-2-enoate?
The canonical SMILES for ethyl (Z)-2-acetyloxy-3-(2,2-difluorocyclopropyl)prop-2-enoate is CCOC(=O)/C(=C/C1CC1(F)F)OC(C)=O.
What is the InChIKey of ethyl (Z)-2-acetyloxy-3-(2,2-difluorocyclopropyl)prop-2-enoate?
The InChIKey is RLUPBLBFCQTOEE-YWEYNIOJSA-N. The full InChI is InChI=1S/C10H12F2O4/c1-3-15-9(14)8(16-6(2)13)4-7-5-10(7,11)12/h4,7H,3,5H2,1-2H3/b8-4-.
What are the key properties of ethyl (Z)-2-acetyloxy-3-(2,2-difluorocyclopropyl)prop-2-enoate?
ethyl (Z)-2-acetyloxy-3-(2,2-difluorocyclopropyl)prop-2-enoate has a molecular weight of 234.20 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-acetyloxy-3-(2,2-difluorocyclopropyl)prop-2-enoate is sourced from PubChem (CID 171479086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).