(2Z)-N-[(Z)-ethylideneamino]-3-fluoro-N-methylpenta-2,4-dien-2-amine

C8H13FN2 — CID 138701610

IUPAC(2Z)-N-[(Z)-ethylideneamino]-3-fluoro-N-methylpenta-2,4-dien-2-amine
SMILESC=C/C(F)=C(\C)N(C)/N=C\C
InChIInChI=1S/C8H13FN2/c1-5-8(9)7(3)11(4)10-6-2/h5-6H,1H2,2-4H3/b8-7-,10-6-
InChIKeyLINZLMQOEWLRGT-OYIUBJQVSA-N
MW156.20 g/mol
LogP2.31
Rot. Bonds3

About (2Z)-N-[(Z)-ethylideneamino]-3-fluoro-N-methylpenta-2,4-dien-2-amine

(2Z)-N-[(Z)-ethylideneamino]-3-fluoro-N-methylpenta-2,4-dien-2-amine (PubChem CID 138701610) has the molecular formula C8H13FN2 and a molecular weight of 156.20 g/mol. Its IUPAC name is (2Z)-N-[(Z)-ethylideneamino]-3-fluoro-N-methylpenta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z)-N-[(Z)-ethylideneamino]-3-fluoro-N-methylpenta-2,4-dien-2-amine
PubChem CID138701610
Molecular FormulaC8H13FN2
Molecular Weight156.20 g/mol
Exact Mass156.11
IUPAC Name(2Z)-N-[(Z)-ethylideneamino]-3-fluoro-N-methylpenta-2,4-dien-2-amine
SMILESC=C/C(F)=C(\C)N(C)/N=C\C
InChIInChI=1S/C8H13FN2/c1-5-8(9)7(3)11(4)10-6-2/h5-6H,1H2,2-4H3/b8-7-,10-6-
InChIKeyLINZLMQOEWLRGT-OYIUBJQVSA-N
XLogP2.31
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N-[(Z)-ethylideneamino]-3-fluoro-N-methylpenta-2,4-dien-2-amine?
The IUPAC name of (2Z)-N-[(Z)-ethylideneamino]-3-fluoro-N-methylpenta-2,4-dien-2-amine (CID 138701610) is (2Z)-N-[(Z)-ethylideneamino]-3-fluoro-N-methylpenta-2,4-dien-2-amine.
What is the SMILES notation for (2Z)-N-[(Z)-ethylideneamino]-3-fluoro-N-methylpenta-2,4-dien-2-amine?
The canonical SMILES for (2Z)-N-[(Z)-ethylideneamino]-3-fluoro-N-methylpenta-2,4-dien-2-amine is C=C/C(F)=C(\C)N(C)/N=C\C.
What is the InChIKey of (2Z)-N-[(Z)-ethylideneamino]-3-fluoro-N-methylpenta-2,4-dien-2-amine?
The InChIKey is LINZLMQOEWLRGT-OYIUBJQVSA-N. The full InChI is InChI=1S/C8H13FN2/c1-5-8(9)7(3)11(4)10-6-2/h5-6H,1H2,2-4H3/b8-7-,10-6-.
What are the key properties of (2Z)-N-[(Z)-ethylideneamino]-3-fluoro-N-methylpenta-2,4-dien-2-amine?
(2Z)-N-[(Z)-ethylideneamino]-3-fluoro-N-methylpenta-2,4-dien-2-amine has a molecular weight of 156.20 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-[(Z)-ethylideneamino]-3-fluoro-N-methylpenta-2,4-dien-2-amine is sourced from PubChem (CID 138701610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).