(2Z)-4-fluoro-N-methyl-3-propan-2-ylpenta-2,4-dien-1-imine

C9H14FN — CID 166786093

IUPAC(2Z)-4-fluoro-N-methyl-3-propan-2-ylpenta-2,4-dien-1-imine
SMILESC=C(F)/C(=C\C=N\C)C(C)C
InChIInChI=1S/C9H14FN/c1-7(2)9(8(3)10)5-6-11-4/h5-7H,3H2,1-2,4H3/b9-5-,11-6+
InChIKeyRNMXYVPQUPAVRT-YCQMDOFOSA-N
MW155.22 g/mol
LogP2.75
Rot. Bonds3

About (2Z)-4-fluoro-N-methyl-3-propan-2-ylpenta-2,4-dien-1-imine

(2Z)-4-fluoro-N-methyl-3-propan-2-ylpenta-2,4-dien-1-imine (PubChem CID 166786093) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is (2Z)-4-fluoro-N-methyl-3-propan-2-ylpenta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z)-4-fluoro-N-methyl-3-propan-2-ylpenta-2,4-dien-1-imine
PubChem CID166786093
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name(2Z)-4-fluoro-N-methyl-3-propan-2-ylpenta-2,4-dien-1-imine
SMILESC=C(F)/C(=C\C=N\C)C(C)C
InChIInChI=1S/C9H14FN/c1-7(2)9(8(3)10)5-6-11-4/h5-7H,3H2,1-2,4H3/b9-5-,11-6+
InChIKeyRNMXYVPQUPAVRT-YCQMDOFOSA-N
XLogP2.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-4-fluoro-N-methyl-3-propan-2-ylpenta-2,4-dien-1-imine?
The IUPAC name of (2Z)-4-fluoro-N-methyl-3-propan-2-ylpenta-2,4-dien-1-imine (CID 166786093) is (2Z)-4-fluoro-N-methyl-3-propan-2-ylpenta-2,4-dien-1-imine.
What is the SMILES notation for (2Z)-4-fluoro-N-methyl-3-propan-2-ylpenta-2,4-dien-1-imine?
The canonical SMILES for (2Z)-4-fluoro-N-methyl-3-propan-2-ylpenta-2,4-dien-1-imine is C=C(F)/C(=C\C=N\C)C(C)C.
What is the InChIKey of (2Z)-4-fluoro-N-methyl-3-propan-2-ylpenta-2,4-dien-1-imine?
The InChIKey is RNMXYVPQUPAVRT-YCQMDOFOSA-N. The full InChI is InChI=1S/C9H14FN/c1-7(2)9(8(3)10)5-6-11-4/h5-7H,3H2,1-2,4H3/b9-5-,11-6+.
What are the key properties of (2Z)-4-fluoro-N-methyl-3-propan-2-ylpenta-2,4-dien-1-imine?
(2Z)-4-fluoro-N-methyl-3-propan-2-ylpenta-2,4-dien-1-imine has a molecular weight of 155.22 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4-fluoro-N-methyl-3-propan-2-ylpenta-2,4-dien-1-imine is sourced from PubChem (CID 166786093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).