(4Z)-2-fluoro-N,2,6-trimethylhepta-4,6-dien-3-imine

C10H16FN — CID 169104905

IUPAC(4Z)-2-fluoro-N,2,6-trimethylhepta-4,6-dien-3-imine
SMILESC=C(C)/C=C\C(=N\C)C(C)(C)F
InChIInChI=1S/C10H16FN/c1-8(2)6-7-9(12-5)10(3,4)11/h6-7H,1H2,2-5H3/b7-6-,12-9-
InChIKeyCDQDPOXHEOMNLG-OMBMMOEUSA-N
MW169.24 g/mol
LogP2.94
Rot. Bonds3

About (4Z)-2-fluoro-N,2,6-trimethylhepta-4,6-dien-3-imine

(4Z)-2-fluoro-N,2,6-trimethylhepta-4,6-dien-3-imine (PubChem CID 169104905) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is (4Z)-2-fluoro-N,2,6-trimethylhepta-4,6-dien-3-imine.

Molecular Properties

Compound Name(4Z)-2-fluoro-N,2,6-trimethylhepta-4,6-dien-3-imine
PubChem CID169104905
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name(4Z)-2-fluoro-N,2,6-trimethylhepta-4,6-dien-3-imine
SMILESC=C(C)/C=C\C(=N\C)C(C)(C)F
InChIInChI=1S/C10H16FN/c1-8(2)6-7-9(12-5)10(3,4)11/h6-7H,1H2,2-5H3/b7-6-,12-9-
InChIKeyCDQDPOXHEOMNLG-OMBMMOEUSA-N
XLogP2.94
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.94
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'}

Analyze (4Z)-2-fluoro-N,2,6-trimethylhepta-4,6-dien-3-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-6-fluorocyclohexa-2,4-dien-1-imine
CID 69577422
N-tert-butyl-2-fluorocyclohexa-2,4-dien-1-imine
CID 69577423
(Z)-1,1,1-trifluoro-N,6,6-trimethyl-5-methylidenehept-3-en-2-imine
CID 88877671
6-(Difluoromethyl)-5-ethenyl-3-ethyl-2,3-dihydropyridine
CID 90977674
(Z)-6,6-difluoro-N-methyl-5-methylidenehept-3-en-2-imine
CID 91123661
(Z)-2-fluoro-N,4-dimethylhex-4-en-3-imine
CID 123257135
(3E)-N-methyl-4-(trifluoromethyl)hexa-3,5-dien-2-imine
CID 123905830
(E)-N-(2-fluoro-2-methylpropyl)-3-methylpent-3-en-2-imine
CID 123979160
(3E,6Z)-9-ethenyl-4-fluoro-2,6,8-trimethyl-5,8-dihydro-2H-azonine
CID 126592408
1-[(4E,6Z)-5-fluorocycloocta-1,4,6-trien-1-yl]-N-methylethanimine
CID 129215964
(3E)-1,1,1-trifluoro-N,4-dimethylhexa-3,5-dien-2-imine
CID 130256677
(3Z,5E)-N-[(3Z)-3-fluorohepta-1,3-dien-4-yl]-3,4-dimethylhepta-3,5-dien-2-imine
CID 134448737

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-fluoro-N,2,6-trimethylhepta-4,6-dien-3-imine?
The IUPAC name of (4Z)-2-fluoro-N,2,6-trimethylhepta-4,6-dien-3-imine (CID 169104905) is (4Z)-2-fluoro-N,2,6-trimethylhepta-4,6-dien-3-imine.
What is the SMILES notation for (4Z)-2-fluoro-N,2,6-trimethylhepta-4,6-dien-3-imine?
The canonical SMILES for (4Z)-2-fluoro-N,2,6-trimethylhepta-4,6-dien-3-imine is C=C(C)/C=C\C(=N\C)C(C)(C)F.
What is the InChIKey of (4Z)-2-fluoro-N,2,6-trimethylhepta-4,6-dien-3-imine?
The InChIKey is CDQDPOXHEOMNLG-OMBMMOEUSA-N. The full InChI is InChI=1S/C10H16FN/c1-8(2)6-7-9(12-5)10(3,4)11/h6-7H,1H2,2-5H3/b7-6-,12-9-.
What are the key properties of (4Z)-2-fluoro-N,2,6-trimethylhepta-4,6-dien-3-imine?
(4Z)-2-fluoro-N,2,6-trimethylhepta-4,6-dien-3-imine has a molecular weight of 169.24 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-fluoro-N,2,6-trimethylhepta-4,6-dien-3-imine is sourced from PubChem (CID 169104905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).