(3E)-2-fluorohepta-1,3-diene

C7H11F — CID 15209488

IUPAC(3E)-2-fluorohepta-1,3-diene
SMILESC=C(F)/C=C/CCC
InChIInChI=1S/C7H11F/c1-3-4-5-6-7(2)8/h5-6H,2-4H2,1H3/b6-5+
InChIKeyQUULBEMXKUOAMG-AATRIKPKSA-N
MW114.16 g/mol
LogP2.83
Rot. Bonds3

About (3E)-2-fluorohepta-1,3-diene

(3E)-2-fluorohepta-1,3-diene (PubChem CID 15209488) has the molecular formula C7H11F and a molecular weight of 114.16 g/mol. Its IUPAC name is (3E)-2-fluorohepta-1,3-diene.

Molecular Properties

Compound Name(3E)-2-fluorohepta-1,3-diene
PubChem CID15209488
Molecular FormulaC7H11F
Molecular Weight114.16 g/mol
Exact Mass114.08
IUPAC Name(3E)-2-fluorohepta-1,3-diene
SMILESC=C(F)/C=C/CCC
InChIInChI=1S/C7H11F/c1-3-4-5-6-7(2)8/h5-6H,2-4H2,1H3/b6-5+
InChIKeyQUULBEMXKUOAMG-AATRIKPKSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.16
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-2-fluorohepta-1,3-diene?
The IUPAC name of (3E)-2-fluorohepta-1,3-diene (CID 15209488) is (3E)-2-fluorohepta-1,3-diene.
What is the SMILES notation for (3E)-2-fluorohepta-1,3-diene?
The canonical SMILES for (3E)-2-fluorohepta-1,3-diene is C=C(F)/C=C/CCC.
What is the InChIKey of (3E)-2-fluorohepta-1,3-diene?
The InChIKey is QUULBEMXKUOAMG-AATRIKPKSA-N. The full InChI is InChI=1S/C7H11F/c1-3-4-5-6-7(2)8/h5-6H,2-4H2,1H3/b6-5+.
What are the key properties of (3E)-2-fluorohepta-1,3-diene?
(3E)-2-fluorohepta-1,3-diene has a molecular weight of 114.16 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-fluorohepta-1,3-diene is sourced from PubChem (CID 15209488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).