(3Z)-N-(2-fluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine

C11H18FN — CID 89153630

IUPAC(3Z)-N-(2-fluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
SMILESC=C/C=C(\C=C/C)CCNCCF
InChIInChI=1S/C11H18FN/c1-3-5-11(6-4-2)7-9-13-10-8-12/h3-6,13H,1,7-10H2,2H3/b6-4-,11-5+
InChIKeyBWOJIRSABYXOHT-NQTKGXIKSA-N
MW183.27 g/mol
LogP2.62
Rot. Bonds7

About (3Z)-N-(2-fluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine

(3Z)-N-(2-fluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine (PubChem CID 89153630) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is (3Z)-N-(2-fluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(3Z)-N-(2-fluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
PubChem CID89153630
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name(3Z)-N-(2-fluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
SMILESC=C/C=C(\C=C/C)CCNCCF
InChIInChI=1S/C11H18FN/c1-3-5-11(6-4-2)7-9-13-10-8-12/h3-6,13H,1,7-10H2,2H3/b6-4-,11-5+
InChIKeyBWOJIRSABYXOHT-NQTKGXIKSA-N
XLogP2.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-N-(2-fluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine?
The IUPAC name of (3Z)-N-(2-fluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine (CID 89153630) is (3Z)-N-(2-fluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine.
What is the SMILES notation for (3Z)-N-(2-fluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine?
The canonical SMILES for (3Z)-N-(2-fluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine is C=C/C=C(\C=C/C)CCNCCF.
What is the InChIKey of (3Z)-N-(2-fluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine?
The InChIKey is BWOJIRSABYXOHT-NQTKGXIKSA-N. The full InChI is InChI=1S/C11H18FN/c1-3-5-11(6-4-2)7-9-13-10-8-12/h3-6,13H,1,7-10H2,2H3/b6-4-,11-5+.
What are the key properties of (3Z)-N-(2-fluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine?
(3Z)-N-(2-fluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine has a molecular weight of 183.27 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-(2-fluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine is sourced from PubChem (CID 89153630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).