(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'}

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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).