(3E)-5-fluoro-2-methylpenta-1,3-diene

C6H9F — CID 54095887

IUPAC(3E)-5-fluoro-2-methylpenta-1,3-diene
SMILESC=C(C)/C=C/CF
InChIInChI=1S/C6H9F/c1-6(2)4-3-5-7/h3-4H,1,5H2,2H3/b4-3+
InChIKeyMXBFWANMYFLKSG-ONEGZZNKSA-N
MW100.14 g/mol
LogP2.09
Rot. Bonds2

About (3E)-5-fluoro-2-methylpenta-1,3-diene

(3E)-5-fluoro-2-methylpenta-1,3-diene (PubChem CID 54095887) has the molecular formula C6H9F and a molecular weight of 100.14 g/mol. Its IUPAC name is (3E)-5-fluoro-2-methylpenta-1,3-diene.

Molecular Properties

Compound Name(3E)-5-fluoro-2-methylpenta-1,3-diene
PubChem CID54095887
Molecular FormulaC6H9F
Molecular Weight100.14 g/mol
Exact Mass100.07
IUPAC Name(3E)-5-fluoro-2-methylpenta-1,3-diene
SMILESC=C(C)/C=C/CF
InChIInChI=1S/C6H9F/c1-6(2)4-3-5-7/h3-4H,1,5H2,2H3/b4-3+
InChIKeyMXBFWANMYFLKSG-ONEGZZNKSA-N
XLogP2.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.14
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;(3Z)-2-methylhexa-1,3-diene
CID 142130371
(3Z,5Z)-7-fluoro-4-methylhepta-1,3,5-triene
CID 118002257
(6E)-6-fluoro-2-methylocta-1,3,6-triene
CID 143501588
(3E)-2-methylhepta-1,3-diene
CID 12928201
2-methylhepta-1,3-diene
CID 54310621
(3E,5E,6Z)-5-(2-fluoroethylidene)-2-methylnona-1,3,6-triene
CID 137451315
(3Z)-2,7-dimethylocta-1,3,6-triene;ethene
CID 143233879
5-(3-fluoroprop-1-enyl)-4-methylideneocta-2,5-diene
CID 123446720
(3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane
CID 144971150
2,6,7-trimethylocta-1,3-diene
CID 123885530
ethane;ethene;(3Z)-2-methyl-6-methylideneocta-1,3-diene
CID 178113371
(2E)-N-ethyl-N,4-dimethylpenta-2,4-dien-1-amine
CID 166796239

Frequently Asked Questions

What is the IUPAC name of (3E)-5-fluoro-2-methylpenta-1,3-diene?
The IUPAC name of (3E)-5-fluoro-2-methylpenta-1,3-diene (CID 54095887) is (3E)-5-fluoro-2-methylpenta-1,3-diene.
What is the SMILES notation for (3E)-5-fluoro-2-methylpenta-1,3-diene?
The canonical SMILES for (3E)-5-fluoro-2-methylpenta-1,3-diene is C=C(C)/C=C/CF.
What is the InChIKey of (3E)-5-fluoro-2-methylpenta-1,3-diene?
The InChIKey is MXBFWANMYFLKSG-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H9F/c1-6(2)4-3-5-7/h3-4H,1,5H2,2H3/b4-3+.
What are the key properties of (3E)-5-fluoro-2-methylpenta-1,3-diene?
(3E)-5-fluoro-2-methylpenta-1,3-diene has a molecular weight of 100.14 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-fluoro-2-methylpenta-1,3-diene is sourced from PubChem (CID 54095887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).