(3E,5Z)-4-fluorohepta-3,5-dien-3-amine

C7H12FN — CID 129067297

IUPAC(3E,5Z)-4-fluorohepta-3,5-dien-3-amine
SMILESC/C=C\C(F)=C(/N)CC
InChIInChI=1S/C7H12FN/c1-3-5-6(8)7(9)4-2/h3,5H,4,9H2,1-2H3/b5-3-,7-6+
InChIKeyZFXTZRWAXMGDJF-AIJKMKQJSA-N
MW129.18 g/mol
LogP2.11
Rot. Bonds2

About (3E,5Z)-4-fluorohepta-3,5-dien-3-amine

(3E,5Z)-4-fluorohepta-3,5-dien-3-amine (PubChem CID 129067297) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is (3E,5Z)-4-fluorohepta-3,5-dien-3-amine.

Molecular Properties

Compound Name(3E,5Z)-4-fluorohepta-3,5-dien-3-amine
PubChem CID129067297
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name(3E,5Z)-4-fluorohepta-3,5-dien-3-amine
SMILESC/C=C\C(F)=C(/N)CC
InChIInChI=1S/C7H12FN/c1-3-5-6(8)7(9)4-2/h3,5H,4,9H2,1-2H3/b5-3-,7-6+
InChIKeyZFXTZRWAXMGDJF-AIJKMKQJSA-N
XLogP2.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-Amino-6-methylfulvene
CID 572231
2-Propylidene allyl amine
CID 129776872
2-Fluoro-5-methylcyclohepta-1,3,6-trien-1-amine
CID 68229473
5-Fluoro-2-methylcyclohexa-1,3-dien-1-amine
CID 68244865
4-Fluorocyclohexa-1,5-dien-1-amine
CID 68342081
5-Fluorocyclohexa-1,3-dien-1-amine
CID 70328409
(3E,5E)-5-fluoroocta-3,5,7-trien-3-amine
CID 88905364
(2E,4E)-2-fluorohepta-2,4-dien-4-amine
CID 88953573
(2Z,4Z)-5-fluoropenta-2,4-dien-2-amine
CID 89029579
(3E)-6,7-difluorohepta-1,3-dien-3-amine
CID 89074111
4-Fluorocyclohepta-1,3,6-trien-1-amine
CID 89134403
(2Z,4E)-3-bromo-5-fluorohepta-2,4-dien-2-amine
CID 89148176

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-4-fluorohepta-3,5-dien-3-amine?
The IUPAC name of (3E,5Z)-4-fluorohepta-3,5-dien-3-amine (CID 129067297) is (3E,5Z)-4-fluorohepta-3,5-dien-3-amine.
What is the SMILES notation for (3E,5Z)-4-fluorohepta-3,5-dien-3-amine?
The canonical SMILES for (3E,5Z)-4-fluorohepta-3,5-dien-3-amine is C/C=C\C(F)=C(/N)CC.
What is the InChIKey of (3E,5Z)-4-fluorohepta-3,5-dien-3-amine?
The InChIKey is ZFXTZRWAXMGDJF-AIJKMKQJSA-N. The full InChI is InChI=1S/C7H12FN/c1-3-5-6(8)7(9)4-2/h3,5H,4,9H2,1-2H3/b5-3-,7-6+.
What are the key properties of (3E,5Z)-4-fluorohepta-3,5-dien-3-amine?
(3E,5Z)-4-fluorohepta-3,5-dien-3-amine has a molecular weight of 129.18 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-4-fluorohepta-3,5-dien-3-amine is sourced from PubChem (CID 129067297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).