(2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhepta-2,4-dien-1-imine

C11H18FN — CID 170194966

IUPAC(2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhepta-2,4-dien-1-imine
SMILESC/N=C/C=C(\C=C\C(C)F)C(C)C
InChIInChI=1S/C11H18FN/c1-9(2)11(7-8-13-4)6-5-10(3)12/h5-10H,1-4H3/b6-5+,11-7+,13-8+
InChIKeyPVQWAEBBMOVCAO-UARZLGBGSA-N
MW183.27 g/mol
LogP3.18
Rot. Bonds4

About (2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhepta-2,4-dien-1-imine

(2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhepta-2,4-dien-1-imine (PubChem CID 170194966) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is (2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhepta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhepta-2,4-dien-1-imine
PubChem CID170194966
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name(2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhepta-2,4-dien-1-imine
SMILESC/N=C/C=C(\C=C\C(C)F)C(C)C
InChIInChI=1S/C11H18FN/c1-9(2)11(7-8-13-4)6-5-10(3)12/h5-10H,1-4H3/b6-5+,11-7+,13-8+
InChIKeyPVQWAEBBMOVCAO-UARZLGBGSA-N
XLogP3.18
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 53.18
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,4E)-6-fluoro-N-methyl-3-propan-2-ylhepta-2,4-dien-1-imine?
The IUPAC name of (2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhepta-2,4-dien-1-imine (CID 170194966) is (2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhepta-2,4-dien-1-imine.
What is the SMILES notation for (2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhepta-2,4-dien-1-imine?
The canonical SMILES for (2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhepta-2,4-dien-1-imine is C/N=C/C=C(\C=C\C(C)F)C(C)C.
What is the InChIKey of (2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhepta-2,4-dien-1-imine?
The InChIKey is PVQWAEBBMOVCAO-UARZLGBGSA-N. The full InChI is InChI=1S/C11H18FN/c1-9(2)11(7-8-13-4)6-5-10(3)12/h5-10H,1-4H3/b6-5+,11-7+,13-8+.
What are the key properties of (2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhepta-2,4-dien-1-imine?
(2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhepta-2,4-dien-1-imine has a molecular weight of 183.27 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhepta-2,4-dien-1-imine is sourced from PubChem (CID 170194966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).