2-fluoro-3-prop-2-enoxybuta-1,3-diene

C7H9FO — CID 12036164

IUPAC2-fluoro-3-prop-2-enoxybuta-1,3-diene
SMILESC=CCOC(=C)C(=C)F
InChIInChI=1S/C7H9FO/c1-4-5-9-7(3)6(2)8/h4H,1-3,5H2
InChIKeyGBYWHMRJLKGVPA-UHFFFAOYSA-N
MW128.15 g/mol
LogP2.19
Rot. Bonds4

About 2-fluoro-3-prop-2-enoxybuta-1,3-diene

2-fluoro-3-prop-2-enoxybuta-1,3-diene (PubChem CID 12036164) has the molecular formula C7H9FO and a molecular weight of 128.15 g/mol. Its IUPAC name is 2-fluoro-3-prop-2-enoxybuta-1,3-diene.

Molecular Properties

Compound Name2-fluoro-3-prop-2-enoxybuta-1,3-diene
PubChem CID12036164
Molecular FormulaC7H9FO
Molecular Weight128.15 g/mol
Exact Mass128.06
IUPAC Name2-fluoro-3-prop-2-enoxybuta-1,3-diene
SMILESC=CCOC(=C)C(=C)F
InChIInChI=1S/C7H9FO/c1-4-5-9-7(3)6(2)8/h4H,1-3,5H2
InChIKeyGBYWHMRJLKGVPA-UHFFFAOYSA-N
XLogP2.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-prop-2-enoxybut-3-en-2-one
CID 71774350
ethane;2-ethoxy-3-fluorobuta-1,3-diene
CID 176975991
CID 102351890
CID 102351890
prop-2-enyl 2-(fluoromethyl)prop-2-enoate
CID 67041234
bis(prop-2-enyl) carbonate;ethene
CID 87465968
O-prop-2-enyl 2-methylprop-2-enethioate
CID 59050365
(E)-2-prop-2-enoxybut-2-ene
CID 102099599
bis(prop-2-enyl) (Z)-but-2-enedioate
CID 5354266
bis(prop-2-enyl) but-2-enedioate
CID 173228436
palladium;prop-2-enyl 2,2,2-trifluoroacetate
CID 175036312
iron;prop-2-enyl N,N-bis(sulfanyl)carbamate
CID 87288667
nickel;prop-2-enyl 2,2,2-trifluoroacetate
CID 88780784

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-prop-2-enoxybuta-1,3-diene?
The IUPAC name of 2-fluoro-3-prop-2-enoxybuta-1,3-diene (CID 12036164) is 2-fluoro-3-prop-2-enoxybuta-1,3-diene.
What is the SMILES notation for 2-fluoro-3-prop-2-enoxybuta-1,3-diene?
The canonical SMILES for 2-fluoro-3-prop-2-enoxybuta-1,3-diene is C=CCOC(=C)C(=C)F.
What is the InChIKey of 2-fluoro-3-prop-2-enoxybuta-1,3-diene?
The InChIKey is GBYWHMRJLKGVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FO/c1-4-5-9-7(3)6(2)8/h4H,1-3,5H2.
What are the key properties of 2-fluoro-3-prop-2-enoxybuta-1,3-diene?
2-fluoro-3-prop-2-enoxybuta-1,3-diene has a molecular weight of 128.15 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-prop-2-enoxybuta-1,3-diene is sourced from PubChem (CID 12036164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).