N-(4-fluoro-2-methylpenta-2,4-dienyl)-N-methyl-5-methylidene-2H-furan-3-amine

C12H16FNO — CID 123261320

IUPACN-(4-fluoro-2-methylpenta-2,4-dienyl)-N-methyl-5-methylidene-2H-furan-3-amine
SMILESC=C(F)C=C(C)CN(C)C1=CC(=C)OC1
InChIInChI=1S/C12H16FNO/c1-9(5-10(2)13)7-14(4)12-6-11(3)15-8-12/h5-6H,2-3,7-8H2,1,4H3
InChIKeyGODPUKXGJMHUSS-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.78
Rot. Bonds4

About N-(4-fluoro-2-methylpenta-2,4-dienyl)-N-methyl-5-methylidene-2H-furan-3-amine

N-(4-fluoro-2-methylpenta-2,4-dienyl)-N-methyl-5-methylidene-2H-furan-3-amine (PubChem CID 123261320) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is N-(4-fluoro-2-methylpenta-2,4-dienyl)-N-methyl-5-methylidene-2H-furan-3-amine.

Molecular Properties

Compound NameN-(4-fluoro-2-methylpenta-2,4-dienyl)-N-methyl-5-methylidene-2H-furan-3-amine
PubChem CID123261320
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC NameN-(4-fluoro-2-methylpenta-2,4-dienyl)-N-methyl-5-methylidene-2H-furan-3-amine
SMILESC=C(F)C=C(C)CN(C)C1=CC(=C)OC1
InChIInChI=1S/C12H16FNO/c1-9(5-10(2)13)7-14(4)12-6-11(3)15-8-12/h5-6H,2-3,7-8H2,1,4H3
InChIKeyGODPUKXGJMHUSS-UHFFFAOYSA-N
XLogP2.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylpenta-2,4-dienyl)-N-methyl-5-methylidene-2H-furan-3-amine?
The IUPAC name of N-(4-fluoro-2-methylpenta-2,4-dienyl)-N-methyl-5-methylidene-2H-furan-3-amine (CID 123261320) is N-(4-fluoro-2-methylpenta-2,4-dienyl)-N-methyl-5-methylidene-2H-furan-3-amine.
What is the SMILES notation for N-(4-fluoro-2-methylpenta-2,4-dienyl)-N-methyl-5-methylidene-2H-furan-3-amine?
The canonical SMILES for N-(4-fluoro-2-methylpenta-2,4-dienyl)-N-methyl-5-methylidene-2H-furan-3-amine is C=C(F)C=C(C)CN(C)C1=CC(=C)OC1.
What is the InChIKey of N-(4-fluoro-2-methylpenta-2,4-dienyl)-N-methyl-5-methylidene-2H-furan-3-amine?
The InChIKey is GODPUKXGJMHUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-9(5-10(2)13)7-14(4)12-6-11(3)15-8-12/h5-6H,2-3,7-8H2,1,4H3.
What are the key properties of N-(4-fluoro-2-methylpenta-2,4-dienyl)-N-methyl-5-methylidene-2H-furan-3-amine?
N-(4-fluoro-2-methylpenta-2,4-dienyl)-N-methyl-5-methylidene-2H-furan-3-amine has a molecular weight of 209.26 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylpenta-2,4-dienyl)-N-methyl-5-methylidene-2H-furan-3-amine is sourced from PubChem (CID 123261320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).