(2Z,4Z)-3-fluoro-N-prop-2-enylhexa-2,4-dien-2-amine

C9H14FN — CID 156725768

IUPAC(2Z,4Z)-3-fluoro-N-prop-2-enylhexa-2,4-dien-2-amine
SMILESC=CCN/C(C)=C(F)/C=C\C
InChIInChI=1S/C9H14FN/c1-4-6-9(10)8(3)11-7-5-2/h4-6,11H,2,7H2,1,3H3/b6-4-,9-8-
InChIKeyXNZVPZMFBWNQIK-KDAARUEYSA-N
MW155.22 g/mol
LogP2.54
Rot. Bonds4

About (2Z,4Z)-3-fluoro-N-prop-2-enylhexa-2,4-dien-2-amine

(2Z,4Z)-3-fluoro-N-prop-2-enylhexa-2,4-dien-2-amine (PubChem CID 156725768) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is (2Z,4Z)-3-fluoro-N-prop-2-enylhexa-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z,4Z)-3-fluoro-N-prop-2-enylhexa-2,4-dien-2-amine
PubChem CID156725768
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name(2Z,4Z)-3-fluoro-N-prop-2-enylhexa-2,4-dien-2-amine
SMILESC=CCN/C(C)=C(F)/C=C\C
InChIInChI=1S/C9H14FN/c1-4-6-9(10)8(3)11-7-5-2/h4-6,11H,2,7H2,1,3H3/b6-4-,9-8-
InChIKeyXNZVPZMFBWNQIK-KDAARUEYSA-N
XLogP2.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 (2Z,4Z)-3-fluoro-N-prop-2-enylhexa-2,4-dien-2-amine?
The IUPAC name of (2Z,4Z)-3-fluoro-N-prop-2-enylhexa-2,4-dien-2-amine (CID 156725768) is (2Z,4Z)-3-fluoro-N-prop-2-enylhexa-2,4-dien-2-amine.
What is the SMILES notation for (2Z,4Z)-3-fluoro-N-prop-2-enylhexa-2,4-dien-2-amine?
The canonical SMILES for (2Z,4Z)-3-fluoro-N-prop-2-enylhexa-2,4-dien-2-amine is C=CCN/C(C)=C(F)/C=C\C.
What is the InChIKey of (2Z,4Z)-3-fluoro-N-prop-2-enylhexa-2,4-dien-2-amine?
The InChIKey is XNZVPZMFBWNQIK-KDAARUEYSA-N. The full InChI is InChI=1S/C9H14FN/c1-4-6-9(10)8(3)11-7-5-2/h4-6,11H,2,7H2,1,3H3/b6-4-,9-8-.
What are the key properties of (2Z,4Z)-3-fluoro-N-prop-2-enylhexa-2,4-dien-2-amine?
(2Z,4Z)-3-fluoro-N-prop-2-enylhexa-2,4-dien-2-amine has a molecular weight of 155.22 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-3-fluoro-N-prop-2-enylhexa-2,4-dien-2-amine is sourced from PubChem (CID 156725768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).