4-[(E)-3-fluoro-2-methylidenepent-3-enyl]oxane

C11H17FO — CID 167014378

IUPAC4-[(E)-3-fluoro-2-methylidenepent-3-enyl]oxane
SMILESC=C(CC1CCOCC1)/C(F)=C\C
InChIInChI=1S/C11H17FO/c1-3-11(12)9(2)8-10-4-6-13-7-5-10/h3,10H,2,4-8H2,1H3/b11-3+
InChIKeyAVKRKZJNFNNVDQ-QDEBKDIKSA-N
MW184.25 g/mol
LogP3.23
Rot. Bonds3

About 4-[(E)-3-fluoro-2-methylidenepent-3-enyl]oxane

4-[(E)-3-fluoro-2-methylidenepent-3-enyl]oxane (PubChem CID 167014378) has the molecular formula C11H17FO and a molecular weight of 184.25 g/mol. Its IUPAC name is 4-[(E)-3-fluoro-2-methylidenepent-3-enyl]oxane.

Molecular Properties

Compound Name4-[(E)-3-fluoro-2-methylidenepent-3-enyl]oxane
PubChem CID167014378
Molecular FormulaC11H17FO
Molecular Weight184.25 g/mol
Exact Mass184.13
IUPAC Name4-[(E)-3-fluoro-2-methylidenepent-3-enyl]oxane
SMILESC=C(CC1CCOCC1)/C(F)=C\C
InChIInChI=1S/C11H17FO/c1-3-11(12)9(2)8-10-4-6-13-7-5-10/h3,10H,2,4-8H2,1H3/b11-3+
InChIKeyAVKRKZJNFNNVDQ-QDEBKDIKSA-N
XLogP3.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.25
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-fluoro-2-methylidenepent-3-enyl]oxane?
The IUPAC name of 4-[(E)-3-fluoro-2-methylidenepent-3-enyl]oxane (CID 167014378) is 4-[(E)-3-fluoro-2-methylidenepent-3-enyl]oxane.
What is the SMILES notation for 4-[(E)-3-fluoro-2-methylidenepent-3-enyl]oxane?
The canonical SMILES for 4-[(E)-3-fluoro-2-methylidenepent-3-enyl]oxane is C=C(CC1CCOCC1)/C(F)=C\C.
What is the InChIKey of 4-[(E)-3-fluoro-2-methylidenepent-3-enyl]oxane?
The InChIKey is AVKRKZJNFNNVDQ-QDEBKDIKSA-N. The full InChI is InChI=1S/C11H17FO/c1-3-11(12)9(2)8-10-4-6-13-7-5-10/h3,10H,2,4-8H2,1H3/b11-3+.
What are the key properties of 4-[(E)-3-fluoro-2-methylidenepent-3-enyl]oxane?
4-[(E)-3-fluoro-2-methylidenepent-3-enyl]oxane has a molecular weight of 184.25 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-fluoro-2-methylidenepent-3-enyl]oxane is sourced from PubChem (CID 167014378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).