(3E)-3-fluoro-N-[(1E)-1-fluoro-3-methanimidoylbuta-1,3-dienyl]hexa-1,3-dien-2-amine

C11H14F2N2 — CID 174337087

IUPAC(3E)-3-fluoro-N-[(1E)-1-fluoro-3-methanimidoylbuta-1,3-dienyl]hexa-1,3-dien-2-amine
SMILES[H]/N=C/C(=C)/C=C(/F)NC(=C)/C(F)=C\CC
InChIInChI=1S/C11H14F2N2/c1-4-5-10(12)9(3)15-11(13)6-8(2)7-14/h5-7,14-15H,2-4H2,1H3/b10-5+,11-6-,14-7+
InChIKeyLAMSLBXFIKQRJR-NTSYAQQNSA-N
MW212.24 g/mol
LogP3.37
Rot. Bonds6

About (3E)-3-fluoro-N-[(1E)-1-fluoro-3-methanimidoylbuta-1,3-dienyl]hexa-1,3-dien-2-amine

(3E)-3-fluoro-N-[(1E)-1-fluoro-3-methanimidoylbuta-1,3-dienyl]hexa-1,3-dien-2-amine (PubChem CID 174337087) has the molecular formula C11H14F2N2 and a molecular weight of 212.24 g/mol. Its IUPAC name is (3E)-3-fluoro-N-[(1E)-1-fluoro-3-methanimidoylbuta-1,3-dienyl]hexa-1,3-dien-2-amine.

Molecular Properties

Compound Name(3E)-3-fluoro-N-[(1E)-1-fluoro-3-methanimidoylbuta-1,3-dienyl]hexa-1,3-dien-2-amine
PubChem CID174337087
Molecular FormulaC11H14F2N2
Molecular Weight212.24 g/mol
Exact Mass212.11
IUPAC Name(3E)-3-fluoro-N-[(1E)-1-fluoro-3-methanimidoylbuta-1,3-dienyl]hexa-1,3-dien-2-amine
SMILES[H]/N=C/C(=C)/C=C(/F)NC(=C)/C(F)=C\CC
InChIInChI=1S/C11H14F2N2/c1-4-5-10(12)9(3)15-11(13)6-8(2)7-14/h5-7,14-15H,2-4H2,1H3/b10-5+,11-6-,14-7+
InChIKeyLAMSLBXFIKQRJR-NTSYAQQNSA-N
XLogP3.37
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-fluoro-N-[(1E)-1-fluoro-3-methanimidoylbuta-1,3-dienyl]hexa-1,3-dien-2-amine?
The IUPAC name of (3E)-3-fluoro-N-[(1E)-1-fluoro-3-methanimidoylbuta-1,3-dienyl]hexa-1,3-dien-2-amine (CID 174337087) is (3E)-3-fluoro-N-[(1E)-1-fluoro-3-methanimidoylbuta-1,3-dienyl]hexa-1,3-dien-2-amine.
What is the SMILES notation for (3E)-3-fluoro-N-[(1E)-1-fluoro-3-methanimidoylbuta-1,3-dienyl]hexa-1,3-dien-2-amine?
The canonical SMILES for (3E)-3-fluoro-N-[(1E)-1-fluoro-3-methanimidoylbuta-1,3-dienyl]hexa-1,3-dien-2-amine is [H]/N=C/C(=C)/C=C(/F)NC(=C)/C(F)=C\CC.
What is the InChIKey of (3E)-3-fluoro-N-[(1E)-1-fluoro-3-methanimidoylbuta-1,3-dienyl]hexa-1,3-dien-2-amine?
The InChIKey is LAMSLBXFIKQRJR-NTSYAQQNSA-N. The full InChI is InChI=1S/C11H14F2N2/c1-4-5-10(12)9(3)15-11(13)6-8(2)7-14/h5-7,14-15H,2-4H2,1H3/b10-5+,11-6-,14-7+.
What are the key properties of (3E)-3-fluoro-N-[(1E)-1-fluoro-3-methanimidoylbuta-1,3-dienyl]hexa-1,3-dien-2-amine?
(3E)-3-fluoro-N-[(1E)-1-fluoro-3-methanimidoylbuta-1,3-dienyl]hexa-1,3-dien-2-amine has a molecular weight of 212.24 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-fluoro-N-[(1E)-1-fluoro-3-methanimidoylbuta-1,3-dienyl]hexa-1,3-dien-2-amine is sourced from PubChem (CID 174337087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).