(2Z,4Z)-1-(4-fluorocyclohexa-1,3-dien-1-yl)-N-propan-2-ylhepta-2,4-dien-1-imine

C16H22FN — CID 153399315

IUPAC(2Z,4Z)-1-(4-fluorocyclohexa-1,3-dien-1-yl)-N-propan-2-ylhepta-2,4-dien-1-imine
SMILESCC/C=C\C=C/C(=N/C(C)C)C1=CC=C(F)CC1
InChIInChI=1S/C16H22FN/c1-4-5-6-7-8-16(18-13(2)3)14-9-11-15(17)12-10-14/h5-9,11,13H,4,10,12H2,1-3H3/b6-5-,8-7-,18-16-
InChIKeyPSXZCBSZFILZAX-DPLZKGJTSA-N
MW247.36 g/mol
LogP4.93
Rot. Bonds5

About (2Z,4Z)-1-(4-fluorocyclohexa-1,3-dien-1-yl)-N-propan-2-ylhepta-2,4-dien-1-imine

(2Z,4Z)-1-(4-fluorocyclohexa-1,3-dien-1-yl)-N-propan-2-ylhepta-2,4-dien-1-imine (PubChem CID 153399315) has the molecular formula C16H22FN and a molecular weight of 247.36 g/mol. Its IUPAC name is (2Z,4Z)-1-(4-fluorocyclohexa-1,3-dien-1-yl)-N-propan-2-ylhepta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z,4Z)-1-(4-fluorocyclohexa-1,3-dien-1-yl)-N-propan-2-ylhepta-2,4-dien-1-imine
PubChem CID153399315
Molecular FormulaC16H22FN
Molecular Weight247.36 g/mol
Exact Mass247.17
IUPAC Name(2Z,4Z)-1-(4-fluorocyclohexa-1,3-dien-1-yl)-N-propan-2-ylhepta-2,4-dien-1-imine
SMILESCC/C=C\C=C/C(=N/C(C)C)C1=CC=C(F)CC1
InChIInChI=1S/C16H22FN/c1-4-5-6-7-8-16(18-13(2)3)14-9-11-15(17)12-10-14/h5-9,11,13H,4,10,12H2,1-3H3/b6-5-,8-7-,18-16-
InChIKeyPSXZCBSZFILZAX-DPLZKGJTSA-N
XLogP4.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 54.93
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-1-(4-fluorocyclohexa-1,3-dien-1-yl)-N-propan-2-ylhepta-2,4-dien-1-imine?
The IUPAC name of (2Z,4Z)-1-(4-fluorocyclohexa-1,3-dien-1-yl)-N-propan-2-ylhepta-2,4-dien-1-imine (CID 153399315) is (2Z,4Z)-1-(4-fluorocyclohexa-1,3-dien-1-yl)-N-propan-2-ylhepta-2,4-dien-1-imine.
What is the SMILES notation for (2Z,4Z)-1-(4-fluorocyclohexa-1,3-dien-1-yl)-N-propan-2-ylhepta-2,4-dien-1-imine?
The canonical SMILES for (2Z,4Z)-1-(4-fluorocyclohexa-1,3-dien-1-yl)-N-propan-2-ylhepta-2,4-dien-1-imine is CC/C=C\C=C/C(=N/C(C)C)C1=CC=C(F)CC1.
What is the InChIKey of (2Z,4Z)-1-(4-fluorocyclohexa-1,3-dien-1-yl)-N-propan-2-ylhepta-2,4-dien-1-imine?
The InChIKey is PSXZCBSZFILZAX-DPLZKGJTSA-N. The full InChI is InChI=1S/C16H22FN/c1-4-5-6-7-8-16(18-13(2)3)14-9-11-15(17)12-10-14/h5-9,11,13H,4,10,12H2,1-3H3/b6-5-,8-7-,18-16-.
What are the key properties of (2Z,4Z)-1-(4-fluorocyclohexa-1,3-dien-1-yl)-N-propan-2-ylhepta-2,4-dien-1-imine?
(2Z,4Z)-1-(4-fluorocyclohexa-1,3-dien-1-yl)-N-propan-2-ylhepta-2,4-dien-1-imine has a molecular weight of 247.36 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-1-(4-fluorocyclohexa-1,3-dien-1-yl)-N-propan-2-ylhepta-2,4-dien-1-imine is sourced from PubChem (CID 153399315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).