(5Z)-2-fluorohepta-1,5-dien-3-amine

C7H12FN — CID 89153786

IUPAC(5Z)-2-fluorohepta-1,5-dien-3-amine
SMILESC=C(F)C(N)C/C=C\C
InChIInChI=1S/C7H12FN/c1-3-4-5-7(9)6(2)8/h3-4,7H,2,5,9H2,1H3/b4-3-
InChIKeyYODXZYPWZJPFOB-ARJAWSKDSA-N
MW129.18 g/mol
LogP1.76
Rot. Bonds3

About (5Z)-2-fluorohepta-1,5-dien-3-amine

(5Z)-2-fluorohepta-1,5-dien-3-amine (PubChem CID 89153786) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is (5Z)-2-fluorohepta-1,5-dien-3-amine.

Molecular Properties

Compound Name(5Z)-2-fluorohepta-1,5-dien-3-amine
PubChem CID89153786
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name(5Z)-2-fluorohepta-1,5-dien-3-amine
SMILESC=C(F)C(N)C/C=C\C
InChIInChI=1S/C7H12FN/c1-3-4-5-7(9)6(2)8/h3-4,7H,2,5,9H2,1H3/b4-3-
InChIKeyYODXZYPWZJPFOB-ARJAWSKDSA-N
XLogP1.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 20676249
(Z)-1-aminohex-4-en-2-ol
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2-prop-1-en-2-ylhex-4-enoic acid
CID 141270650
(6Z)-2-methyl-3-methylidene-4-prop-1-en-2-ylocta-1,6-diene
CID 143964133
(E,2S,3R,4R)-2-amino-3-hydroxy-4-methyloct-6-enoic acid
CID 5282047
1-chloropent-3-en-1-ol
CID 154207104
1-sulfanylpent-3-en-1-ol
CID 91592280
2,4-dimethylnona-1,7-dien-5-ylhydrazine
CID 167096899
(E)-2-methylhex-4-enamide
CID 126589197
(3S,5Z)-3-methylhepta-1,5-diene
CID 24884419

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-fluorohepta-1,5-dien-3-amine?
The IUPAC name of (5Z)-2-fluorohepta-1,5-dien-3-amine (CID 89153786) is (5Z)-2-fluorohepta-1,5-dien-3-amine.
What is the SMILES notation for (5Z)-2-fluorohepta-1,5-dien-3-amine?
The canonical SMILES for (5Z)-2-fluorohepta-1,5-dien-3-amine is C=C(F)C(N)C/C=C\C.
What is the InChIKey of (5Z)-2-fluorohepta-1,5-dien-3-amine?
The InChIKey is YODXZYPWZJPFOB-ARJAWSKDSA-N. The full InChI is InChI=1S/C7H12FN/c1-3-4-5-7(9)6(2)8/h3-4,7H,2,5,9H2,1H3/b4-3-.
What are the key properties of (5Z)-2-fluorohepta-1,5-dien-3-amine?
(5Z)-2-fluorohepta-1,5-dien-3-amine has a molecular weight of 129.18 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-fluorohepta-1,5-dien-3-amine is sourced from PubChem (CID 89153786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).