(3Z,5Z)-7-fluoro-N-prop-2-enylhepta-3,5-dien-1-amine

C10H16FN — CID 163671920

IUPAC(3Z,5Z)-7-fluoro-N-prop-2-enylhepta-3,5-dien-1-amine
SMILESC=CCNCC/C=C\C=C/CF
InChIInChI=1S/C10H16FN/c1-2-9-12-10-7-5-3-4-6-8-11/h2-6,12H,1,7-10H2/b5-3-,6-4-
InChIKeyJDHPDZYBEHVZLV-GLIMQPGKSA-N
MW169.24 g/mol
LogP2.23
Rot. Bonds7

About (3Z,5Z)-7-fluoro-N-prop-2-enylhepta-3,5-dien-1-amine

(3Z,5Z)-7-fluoro-N-prop-2-enylhepta-3,5-dien-1-amine (PubChem CID 163671920) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is (3Z,5Z)-7-fluoro-N-prop-2-enylhepta-3,5-dien-1-amine.

Molecular Properties

Compound Name(3Z,5Z)-7-fluoro-N-prop-2-enylhepta-3,5-dien-1-amine
PubChem CID163671920
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name(3Z,5Z)-7-fluoro-N-prop-2-enylhepta-3,5-dien-1-amine
SMILESC=CCNCC/C=C\C=C/CF
InChIInChI=1S/C10H16FN/c1-2-9-12-10-7-5-3-4-6-8-11/h2-6,12H,1,7-10H2/b5-3-,6-4-
InChIKeyJDHPDZYBEHVZLV-GLIMQPGKSA-N
XLogP2.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.23
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z,5Z)-7-fluoro-N-prop-2-enylhepta-3,5-dien-1-amine with MolForge

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Related Compounds

N-Butyl-N-[(E)-3,5-hexadien-1-yl]amine
CID 59529047
4-Fluoro-1,2,3,6-tetrahydropyridine
CID 15895241
5-Fluoro-1,2,3,6-tetrahydropyridine
CID 75480349
(2E,3E)-2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
CID 88224148
(3Z,5E)-6-fluoro-N,2-dimethylocta-3,5,7-trien-1-amine
CID 88267348
(3Z)-N-(2-fluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
CID 89153630
5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine
CID 89167830
2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
CID 90894312
2-Fluoro-1,2,3,6-tetrahydropyridine
CID 91289839
(2E,3Z)-N-(2,2-difluoroethyl)-2-ethylidenehexa-3,5-dien-1-amine
CID 129116402
(Z)-N-ethyl-2-fluorohept-4-en-1-amine
CID 132224772
(2E,4E)-5-fluoro-N-methylhepta-2,4-dien-1-amine
CID 134483981

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-7-fluoro-N-prop-2-enylhepta-3,5-dien-1-amine?
The IUPAC name of (3Z,5Z)-7-fluoro-N-prop-2-enylhepta-3,5-dien-1-amine (CID 163671920) is (3Z,5Z)-7-fluoro-N-prop-2-enylhepta-3,5-dien-1-amine.
What is the SMILES notation for (3Z,5Z)-7-fluoro-N-prop-2-enylhepta-3,5-dien-1-amine?
The canonical SMILES for (3Z,5Z)-7-fluoro-N-prop-2-enylhepta-3,5-dien-1-amine is C=CCNCC/C=C\C=C/CF.
What is the InChIKey of (3Z,5Z)-7-fluoro-N-prop-2-enylhepta-3,5-dien-1-amine?
The InChIKey is JDHPDZYBEHVZLV-GLIMQPGKSA-N. The full InChI is InChI=1S/C10H16FN/c1-2-9-12-10-7-5-3-4-6-8-11/h2-6,12H,1,7-10H2/b5-3-,6-4-.
What are the key properties of (3Z,5Z)-7-fluoro-N-prop-2-enylhepta-3,5-dien-1-amine?
(3Z,5Z)-7-fluoro-N-prop-2-enylhepta-3,5-dien-1-amine has a molecular weight of 169.24 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-7-fluoro-N-prop-2-enylhepta-3,5-dien-1-amine is sourced from PubChem (CID 163671920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).