3-(2-ethylidenepent-3-enoxymethyl)-2-fluorohexane

C14H25FO — CID 123968081

IUPAC3-(2-ethylidenepent-3-enoxymethyl)-2-fluorohexane
SMILESCC=CC(=CC)COCC(CCC)C(C)F
InChIInChI=1S/C14H25FO/c1-5-8-13(7-3)10-16-11-14(9-6-2)12(4)15/h5,7-8,12,14H,6,9-11H2,1-4H3
InChIKeyGCVNUIBZMZQCIC-UHFFFAOYSA-N
MW228.35 g/mol
LogP4.30
Rot. Bonds8

About 3-(2-ethylidenepent-3-enoxymethyl)-2-fluorohexane

3-(2-ethylidenepent-3-enoxymethyl)-2-fluorohexane (PubChem CID 123968081) has the molecular formula C14H25FO and a molecular weight of 228.35 g/mol. Its IUPAC name is 3-(2-ethylidenepent-3-enoxymethyl)-2-fluorohexane.

Molecular Properties

Compound Name3-(2-ethylidenepent-3-enoxymethyl)-2-fluorohexane
PubChem CID123968081
Molecular FormulaC14H25FO
Molecular Weight228.35 g/mol
Exact Mass228.19
IUPAC Name3-(2-ethylidenepent-3-enoxymethyl)-2-fluorohexane
SMILESCC=CC(=CC)COCC(CCC)C(C)F
InChIInChI=1S/C14H25FO/c1-5-8-13(7-3)10-16-11-14(9-6-2)12(4)15/h5,7-8,12,14H,6,9-11H2,1-4H3
InChIKeyGCVNUIBZMZQCIC-UHFFFAOYSA-N
XLogP4.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.35
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-Cyclohexa-1,3-dien-1-yl-1-fluoro-2-(methoxymethyl)-4-methylcyclohexa-1,3-diene
CID 70961035
(4-Fluoro-1-propoxyhepta-2,4,6-trien-2-yl)cyclopropane
CID 123429547
(2E,4Z)-3-fluoro-1-methoxy-7-methyl-6-methylidenenona-2,4-diene
CID 129196432
5-Fluoro-2-(2-methylbutoxymethyl)cyclohexa-1,3-diene
CID 138484399
(2E,4Z)-3-(2-fluoroethoxymethyl)-7-methyl-6-methylideneocta-2,4-diene
CID 142308970
(2E,4Z,7Z,10E,12E)-5-(ethoxymethyl)-10-ethyl-3-fluoro-6,9-dimethyltetradeca-2,4,7,10,12-pentaene
CID 144367648
3-[(3E,5E,7E,9E)-7-(ethoxymethyl)-6-ethyl-8,9-difluoro-3-methylundeca-3,5,7,9-tetraenyl]-6-[(E)-prop-1-enyl]cyclohexene
CID 144367893
3-[[(2Z,4E)-4-fluoro-2-methylhexa-2,4-dienoxy]methyl]-6-methylcyclohexene
CID 144367936
(5S)-5-fluoro-5-(4-methylhexoxy)cyclohexa-1,3-diene
CID 154421990
5-Fluoro-5-(4-methylhexoxy)cyclohexa-1,3-diene
CID 154421992
4-(1-fluoroethenyl)-3-propan-2-yl-5-[(Z)-prop-1-enyl]-2,3-dihydrofuran
CID 168169779
5-methyl-3-propan-2-yl-4-[(1Z,3Z)-3-(trifluoromethyl)hexa-1,3-dienyl]-3,6-dihydro-2H-pyran
CID 176958425

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylidenepent-3-enoxymethyl)-2-fluorohexane?
The IUPAC name of 3-(2-ethylidenepent-3-enoxymethyl)-2-fluorohexane (CID 123968081) is 3-(2-ethylidenepent-3-enoxymethyl)-2-fluorohexane.
What is the SMILES notation for 3-(2-ethylidenepent-3-enoxymethyl)-2-fluorohexane?
The canonical SMILES for 3-(2-ethylidenepent-3-enoxymethyl)-2-fluorohexane is CC=CC(=CC)COCC(CCC)C(C)F.
What is the InChIKey of 3-(2-ethylidenepent-3-enoxymethyl)-2-fluorohexane?
The InChIKey is GCVNUIBZMZQCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FO/c1-5-8-13(7-3)10-16-11-14(9-6-2)12(4)15/h5,7-8,12,14H,6,9-11H2,1-4H3.
What are the key properties of 3-(2-ethylidenepent-3-enoxymethyl)-2-fluorohexane?
3-(2-ethylidenepent-3-enoxymethyl)-2-fluorohexane has a molecular weight of 228.35 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylidenepent-3-enoxymethyl)-2-fluorohexane is sourced from PubChem (CID 123968081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).