(2Z,4E,5Z)-4-ethylidene-7-fluoroocta-2,5,7-trien-3-amine

C10H14FN — CID 144654304

IUPAC(2Z,4E,5Z)-4-ethylidene-7-fluoroocta-2,5,7-trien-3-amine
SMILESC=C(F)/C=C\C(=C/C)\C(N)=C\C
InChIInChI=1S/C10H14FN/c1-4-9(10(12)5-2)7-6-8(3)11/h4-7H,3,12H2,1-2H3/b7-6-,9-4+,10-5-
InChIKeyOMVDNPOYSVONTO-JEMDVOEQSA-N
MW167.23 g/mol
LogP2.83
Rot. Bonds3

About (2Z,4E,5Z)-4-ethylidene-7-fluoroocta-2,5,7-trien-3-amine

(2Z,4E,5Z)-4-ethylidene-7-fluoroocta-2,5,7-trien-3-amine (PubChem CID 144654304) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is (2Z,4E,5Z)-4-ethylidene-7-fluoroocta-2,5,7-trien-3-amine.

Molecular Properties

Compound Name(2Z,4E,5Z)-4-ethylidene-7-fluoroocta-2,5,7-trien-3-amine
PubChem CID144654304
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name(2Z,4E,5Z)-4-ethylidene-7-fluoroocta-2,5,7-trien-3-amine
SMILESC=C(F)/C=C\C(=C/C)\C(N)=C\C
InChIInChI=1S/C10H14FN/c1-4-9(10(12)5-2)7-6-8(3)11/h4-7H,3,12H2,1-2H3/b7-6-,9-4+,10-5-
InChIKeyOMVDNPOYSVONTO-JEMDVOEQSA-N
XLogP2.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E,5Z)-4-ethylidene-7-fluoroocta-2,5,7-trien-3-amine?
The IUPAC name of (2Z,4E,5Z)-4-ethylidene-7-fluoroocta-2,5,7-trien-3-amine (CID 144654304) is (2Z,4E,5Z)-4-ethylidene-7-fluoroocta-2,5,7-trien-3-amine.
What is the SMILES notation for (2Z,4E,5Z)-4-ethylidene-7-fluoroocta-2,5,7-trien-3-amine?
The canonical SMILES for (2Z,4E,5Z)-4-ethylidene-7-fluoroocta-2,5,7-trien-3-amine is C=C(F)/C=C\C(=C/C)\C(N)=C\C.
What is the InChIKey of (2Z,4E,5Z)-4-ethylidene-7-fluoroocta-2,5,7-trien-3-amine?
The InChIKey is OMVDNPOYSVONTO-JEMDVOEQSA-N. The full InChI is InChI=1S/C10H14FN/c1-4-9(10(12)5-2)7-6-8(3)11/h4-7H,3,12H2,1-2H3/b7-6-,9-4+,10-5-.
What are the key properties of (2Z,4E,5Z)-4-ethylidene-7-fluoroocta-2,5,7-trien-3-amine?
(2Z,4E,5Z)-4-ethylidene-7-fluoroocta-2,5,7-trien-3-amine has a molecular weight of 167.23 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,5Z)-4-ethylidene-7-fluoroocta-2,5,7-trien-3-amine is sourced from PubChem (CID 144654304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).