2-fluoro-2-methylbutane;methyl (3Z,4Z)-3-ethylidene-6-formyloxy-4-prop-2-enylidenecyclohexa-1,5-diene-1-carboxylate

C19H25FO4 — CID 144690884

IUPAC2-fluoro-2-methylbutane;methyl (3Z,4Z)-3-ethylidene-6-formyloxy-4-prop-2-enylidenecyclohexa-1,5-diene-1-carboxylate
SMILESC=C/C=c1/cc(OC=O)c(C(=O)OC)c/c1=C/C.CCC(C)(C)F
InChIInChI=1S/C14H14O4.C5H11F/c1-4-6-11-8-13(18-9-15)12(14(16)17-3)7-10(11)5-2;1-4-5(2,3)6/h4-9H,1H2,2-3H3;4H2,1-3H3/b10-5-,11-6-;
InChIKeyILIKUCQCUAVYIZ-SZRNZXRDSA-N
MW336.40 g/mol
LogP2.92
Rot. Bonds5

About 2-fluoro-2-methylbutane;methyl (3Z,4Z)-3-ethylidene-6-formyloxy-4-prop-2-enylidenecyclohexa-1,5-diene-1-carboxylate

2-fluoro-2-methylbutane;methyl (3Z,4Z)-3-ethylidene-6-formyloxy-4-prop-2-enylidenecyclohexa-1,5-diene-1-carboxylate (PubChem CID 144690884) has the molecular formula C19H25FO4 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-fluoro-2-methylbutane;methyl (3Z,4Z)-3-ethylidene-6-formyloxy-4-prop-2-enylidenecyclohexa-1,5-diene-1-carboxylate.

Molecular Properties

Compound Name2-fluoro-2-methylbutane;methyl (3Z,4Z)-3-ethylidene-6-formyloxy-4-prop-2-enylidenecyclohexa-1,5-diene-1-carboxylate
PubChem CID144690884
Molecular FormulaC19H25FO4
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name2-fluoro-2-methylbutane;methyl (3Z,4Z)-3-ethylidene-6-formyloxy-4-prop-2-enylidenecyclohexa-1,5-diene-1-carboxylate
SMILESC=C/C=c1/cc(OC=O)c(C(=O)OC)c/c1=C/C.CCC(C)(C)F
InChIInChI=1S/C14H14O4.C5H11F/c1-4-6-11-8-13(18-9-15)12(14(16)17-3)7-10(11)5-2;1-4-5(2,3)6/h4-9H,1H2,2-3H3;4H2,1-3H3/b10-5-,11-6-;
InChIKeyILIKUCQCUAVYIZ-SZRNZXRDSA-N
XLogP2.92
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-fluoro-2-methylbutane;methyl (3Z,4Z)-3-ethylidene-6-formyloxy-4-prop-2-enylidenecyclohexa-1,5-diene-1-carboxylate 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 2-fluoro-2-methylbutane;methyl (3Z,4Z)-3-ethylidene-6-formyloxy-4-prop-2-enylidenecyclohexa-1,5-diene-1-carboxylate?
The IUPAC name of 2-fluoro-2-methylbutane;methyl (3Z,4Z)-3-ethylidene-6-formyloxy-4-prop-2-enylidenecyclohexa-1,5-diene-1-carboxylate (CID 144690884) is 2-fluoro-2-methylbutane;methyl (3Z,4Z)-3-ethylidene-6-formyloxy-4-prop-2-enylidenecyclohexa-1,5-diene-1-carboxylate.
What is the SMILES notation for 2-fluoro-2-methylbutane;methyl (3Z,4Z)-3-ethylidene-6-formyloxy-4-prop-2-enylidenecyclohexa-1,5-diene-1-carboxylate?
The canonical SMILES for 2-fluoro-2-methylbutane;methyl (3Z,4Z)-3-ethylidene-6-formyloxy-4-prop-2-enylidenecyclohexa-1,5-diene-1-carboxylate is C=C/C=c1/cc(OC=O)c(C(=O)OC)c/c1=C/C.CCC(C)(C)F.
What is the InChIKey of 2-fluoro-2-methylbutane;methyl (3Z,4Z)-3-ethylidene-6-formyloxy-4-prop-2-enylidenecyclohexa-1,5-diene-1-carboxylate?
The InChIKey is ILIKUCQCUAVYIZ-SZRNZXRDSA-N. The full InChI is InChI=1S/C14H14O4.C5H11F/c1-4-6-11-8-13(18-9-15)12(14(16)17-3)7-10(11)5-2;1-4-5(2,3)6/h4-9H,1H2,2-3H3;4H2,1-3H3/b10-5-,11-6-;.
What are the key properties of 2-fluoro-2-methylbutane;methyl (3Z,4Z)-3-ethylidene-6-formyloxy-4-prop-2-enylidenecyclohexa-1,5-diene-1-carboxylate?
2-fluoro-2-methylbutane;methyl (3Z,4Z)-3-ethylidene-6-formyloxy-4-prop-2-enylidenecyclohexa-1,5-diene-1-carboxylate has a molecular weight of 336.40 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methylbutane;methyl (3Z,4Z)-3-ethylidene-6-formyloxy-4-prop-2-enylidenecyclohexa-1,5-diene-1-carboxylate is sourced from PubChem (CID 144690884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).