N-[(3Z)-2-chloro-4-fluoro-2-methylhexa-3,5-dien-3-yl]methanimine

C8H11ClFN — CID 134178760

IUPACN-[(3Z)-2-chloro-4-fluoro-2-methylhexa-3,5-dien-3-yl]methanimine
SMILESC=C/C(F)=C(/N=C)C(C)(C)Cl
InChIInChI=1S/C8H11ClFN/c1-5-6(10)7(11-4)8(2,3)9/h5H,1,4H2,2-3H3/b7-6-
InChIKeyOIFUMFYKZMOQRI-SREVYHEPSA-N
MW175.63 g/mol
LogP3.07
Rot. Bonds3

About N-[(3Z)-2-chloro-4-fluoro-2-methylhexa-3,5-dien-3-yl]methanimine

N-[(3Z)-2-chloro-4-fluoro-2-methylhexa-3,5-dien-3-yl]methanimine (PubChem CID 134178760) has the molecular formula C8H11ClFN and a molecular weight of 175.63 g/mol. Its IUPAC name is N-[(3Z)-2-chloro-4-fluoro-2-methylhexa-3,5-dien-3-yl]methanimine.

Molecular Properties

Compound NameN-[(3Z)-2-chloro-4-fluoro-2-methylhexa-3,5-dien-3-yl]methanimine
PubChem CID134178760
Molecular FormulaC8H11ClFN
Molecular Weight175.63 g/mol
Exact Mass175.06
IUPAC NameN-[(3Z)-2-chloro-4-fluoro-2-methylhexa-3,5-dien-3-yl]methanimine
SMILESC=C/C(F)=C(/N=C)C(C)(C)Cl
InChIInChI=1S/C8H11ClFN/c1-5-6(10)7(11-4)8(2,3)9/h5H,1,4H2,2-3H3/b7-6-
InChIKeyOIFUMFYKZMOQRI-SREVYHEPSA-N
XLogP3.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.63
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(6-fluoro-4-prop-1-enylhepta-3,5-dien-3-yl)methanimine
CID 124034785
N-[(2E,4Z)-3-fluoro-4-methylhexa-2,4-dien-2-yl]methanimine
CID 134441063
N-[(3E,5E)-4-chloro-7,7,7-trifluoro-2,2,6-trimethylhepta-3,5-dien-3-yl]methanimine
CID 135291341
N-[(2Z,4E)-3-(2-fluoroethyl)hexa-2,4-dien-2-yl]methanimine
CID 137467845
N-[(3Z)-4-fluorohexa-3,5-dien-3-yl]methanimine
CID 139341029
N-[(2Z,4E)-2-chloro-4-fluorohepta-2,4-dien-3-yl]methanimine
CID 139341031
N-[(3E,5E)-4-chloro-6-fluoro-2-methylhepta-3,5-dien-3-yl]methanimine
CID 139543378
N-[(3E,5E)-4-[(E)-2-fluoroethenyl]hepta-1,3,5-trien-3-yl]methanimine
CID 144360493
N-[(3E)-4-fluorohexa-3,5-dien-3-yl]methanimine
CID 144473889
N-[(3E)-3-fluorohepta-1,3-dien-4-yl]methanimine
CID 145694362
N-[(3E,5Z)-4-chloro-2-methyl-5-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimine
CID 146626737
N-[(3E)-4-fluoro-2-methylhexa-3,5-dien-3-yl]methanimine
CID 171519505

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-2-chloro-4-fluoro-2-methylhexa-3,5-dien-3-yl]methanimine?
The IUPAC name of N-[(3Z)-2-chloro-4-fluoro-2-methylhexa-3,5-dien-3-yl]methanimine (CID 134178760) is N-[(3Z)-2-chloro-4-fluoro-2-methylhexa-3,5-dien-3-yl]methanimine.
What is the SMILES notation for N-[(3Z)-2-chloro-4-fluoro-2-methylhexa-3,5-dien-3-yl]methanimine?
The canonical SMILES for N-[(3Z)-2-chloro-4-fluoro-2-methylhexa-3,5-dien-3-yl]methanimine is C=C/C(F)=C(/N=C)C(C)(C)Cl.
What is the InChIKey of N-[(3Z)-2-chloro-4-fluoro-2-methylhexa-3,5-dien-3-yl]methanimine?
The InChIKey is OIFUMFYKZMOQRI-SREVYHEPSA-N. The full InChI is InChI=1S/C8H11ClFN/c1-5-6(10)7(11-4)8(2,3)9/h5H,1,4H2,2-3H3/b7-6-.
What are the key properties of N-[(3Z)-2-chloro-4-fluoro-2-methylhexa-3,5-dien-3-yl]methanimine?
N-[(3Z)-2-chloro-4-fluoro-2-methylhexa-3,5-dien-3-yl]methanimine has a molecular weight of 175.63 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-2-chloro-4-fluoro-2-methylhexa-3,5-dien-3-yl]methanimine is sourced from PubChem (CID 134178760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).