3-fluoro-2-methoxyhexa-2,4-diene

C7H11FO — CID 123524832

IUPAC3-fluoro-2-methoxyhexa-2,4-diene
SMILESCC=CC(F)=C(C)OC
InChIInChI=1S/C7H11FO/c1-4-5-7(8)6(2)9-3/h4-5H,1-3H3
InChIKeyCDAGHTNPFUUPKY-UHFFFAOYSA-N
MW130.16 g/mol
LogP2.41
Rot. Bonds2

About 3-fluoro-2-methoxyhexa-2,4-diene

3-fluoro-2-methoxyhexa-2,4-diene (PubChem CID 123524832) has the molecular formula C7H11FO and a molecular weight of 130.16 g/mol. Its IUPAC name is 3-fluoro-2-methoxyhexa-2,4-diene.

Molecular Properties

Compound Name3-fluoro-2-methoxyhexa-2,4-diene
PubChem CID123524832
Molecular FormulaC7H11FO
Molecular Weight130.16 g/mol
Exact Mass130.08
IUPAC Name3-fluoro-2-methoxyhexa-2,4-diene
SMILESCC=CC(F)=C(C)OC
InChIInChI=1S/C7H11FO/c1-4-5-7(8)6(2)9-3/h4-5H,1-3H3
InChIKeyCDAGHTNPFUUPKY-UHFFFAOYSA-N
XLogP2.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.16
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Methoxy-1,3-pentadiene
CID 6440221
2-Methyloxepin
CID 519274
Methoxyhexatriene
CID 85271706
(1E)-1-fluoro-1-methoxy-4-methylpenta-1,3-diene
CID 87088584
1-Fluoro-1-methoxy-4-methylpenta-1,3-diene
CID 87088585
(3Z,5Z)-4-fluoro-3-methoxyhepta-1,3,5-triene
CID 89812509
6-Fluoro-3-methoxyhepta-1,3,5-triene
CID 91504887
(3E)-4-(trifluoromethoxy)penta-1,3-diene
CID 117622132
(3Z,5E)-6-(trifluoromethoxy)hepta-1,3,5-triene
CID 117972255
4-(2-Fluoroethoxy)penta-1,3-diene
CID 123196217
1-Fluoro-2-methoxybut-2-ene
CID 123213511
4-Fluoro-2-methoxyhexa-2,4-diene
CID 123336401

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methoxyhexa-2,4-diene?
The IUPAC name of 3-fluoro-2-methoxyhexa-2,4-diene (CID 123524832) is 3-fluoro-2-methoxyhexa-2,4-diene.
What is the SMILES notation for 3-fluoro-2-methoxyhexa-2,4-diene?
The canonical SMILES for 3-fluoro-2-methoxyhexa-2,4-diene is CC=CC(F)=C(C)OC.
What is the InChIKey of 3-fluoro-2-methoxyhexa-2,4-diene?
The InChIKey is CDAGHTNPFUUPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO/c1-4-5-7(8)6(2)9-3/h4-5H,1-3H3.
What are the key properties of 3-fluoro-2-methoxyhexa-2,4-diene?
3-fluoro-2-methoxyhexa-2,4-diene has a molecular weight of 130.16 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methoxyhexa-2,4-diene is sourced from PubChem (CID 123524832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).