(2E)-1-fluorohepta-2,6-dien-2-amine

C7H12FN — CID 89217753

IUPAC(2E)-1-fluorohepta-2,6-dien-2-amine
SMILESC=CCC/C=C(/N)CF
InChIInChI=1S/C7H12FN/c1-2-3-4-5-7(9)6-8/h2,5H,1,3-4,6,9H2/b7-5+
InChIKeyQOQMYBKKCIWHJJ-FNORWQNLSA-N
MW129.18 g/mol
LogP1.76
Rot. Bonds4

About (2E)-1-fluorohepta-2,6-dien-2-amine

(2E)-1-fluorohepta-2,6-dien-2-amine (PubChem CID 89217753) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is (2E)-1-fluorohepta-2,6-dien-2-amine.

Molecular Properties

Compound Name(2E)-1-fluorohepta-2,6-dien-2-amine
PubChem CID89217753
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name(2E)-1-fluorohepta-2,6-dien-2-amine
SMILESC=CCC/C=C(/N)CF
InChIInChI=1S/C7H12FN/c1-2-3-4-5-7(9)6-8/h2,5H,1,3-4,6,9H2/b7-5+
InChIKeyQOQMYBKKCIWHJJ-FNORWQNLSA-N
XLogP1.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 71330376
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carbonic acid;4-fluorobut-1-ene
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(5E)-deca-1,5,9-triene
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(3E)-3-methylocta-3,7-dien-2-ol
CID 20501690
(3E)-3-ethylocta-3,7-dien-2-ol
CID 88713488
1-fluorohexa-1,5-diene
CID 154126554
hex-5-enethioamide
CID 88640967
(4E)-4-methylnona-4,8-dien-3-one
CID 20501818
6-methyldeca-1,5,8-triene
CID 150645087
(3E,6Z)-6-[(E)-1-fluoro-2-(methylideneamino)ethenyl]-5-propan-2-ylideneundeca-1,3,6,10-tetraen-3-amine
CID 134380590

Frequently Asked Questions

What is the IUPAC name of (2E)-1-fluorohepta-2,6-dien-2-amine?
The IUPAC name of (2E)-1-fluorohepta-2,6-dien-2-amine (CID 89217753) is (2E)-1-fluorohepta-2,6-dien-2-amine.
What is the SMILES notation for (2E)-1-fluorohepta-2,6-dien-2-amine?
The canonical SMILES for (2E)-1-fluorohepta-2,6-dien-2-amine is C=CCC/C=C(/N)CF.
What is the InChIKey of (2E)-1-fluorohepta-2,6-dien-2-amine?
The InChIKey is QOQMYBKKCIWHJJ-FNORWQNLSA-N. The full InChI is InChI=1S/C7H12FN/c1-2-3-4-5-7(9)6-8/h2,5H,1,3-4,6,9H2/b7-5+.
What are the key properties of (2E)-1-fluorohepta-2,6-dien-2-amine?
(2E)-1-fluorohepta-2,6-dien-2-amine has a molecular weight of 129.18 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-fluorohepta-2,6-dien-2-amine is sourced from PubChem (CID 89217753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).