N-[(3Z)-5-fluorohexa-3,5-dien-3-yl]methanimine

C7H10FN — CID 171630935

IUPACN-[(3Z)-5-fluorohexa-3,5-dien-3-yl]methanimine
SMILESC=N/C(=C\C(=C)F)CC
InChIInChI=1S/C7H10FN/c1-4-7(9-3)5-6(2)8/h5H,2-4H2,1H3/b7-5-
InChIKeyVTONWJGIUHJBBV-ALCCZGGFSA-N
MW127.16 g/mol
LogP2.46
Rot. Bonds3

About N-[(3Z)-5-fluorohexa-3,5-dien-3-yl]methanimine

N-[(3Z)-5-fluorohexa-3,5-dien-3-yl]methanimine (PubChem CID 171630935) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is N-[(3Z)-5-fluorohexa-3,5-dien-3-yl]methanimine.

Molecular Properties

Compound NameN-[(3Z)-5-fluorohexa-3,5-dien-3-yl]methanimine
PubChem CID171630935
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC NameN-[(3Z)-5-fluorohexa-3,5-dien-3-yl]methanimine
SMILESC=N/C(=C\C(=C)F)CC
InChIInChI=1S/C7H10FN/c1-4-7(9-3)5-6(2)8/h5H,2-4H2,1H3/b7-5-
InChIKeyVTONWJGIUHJBBV-ALCCZGGFSA-N
XLogP2.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 52.46
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

N-(3-fluoro-5-methylhexa-1,3,5-trien-2-yl)methanimine
CID 91170852
N-(1,1,1-trifluoropent-2-en-2-yl)methanimine
CID 91449965
N-(4-fluoro-2,6,7-trimethylocta-1,3,5,7-tetraen-3-yl)methanimine
CID 123451765
N-[4-(trifluoromethyl)penta-2,4-dien-2-yl]methanimine
CID 123476058
N-(6-fluoro-4-prop-1-enylhepta-3,5-dien-3-yl)methanimine
CID 124034785
N-[(3Z,5E)-6-fluoro-2,4-dimethylhepta-3,5-dien-3-yl]methanimine
CID 129051517
N-[(3E,5E)-4,6-difluoro-2-methylhepta-3,5-dien-3-yl]methanimine
CID 130218533
N-[(2E,4Z)-3-fluoro-4-methylhexa-2,4-dien-2-yl]methanimine
CID 134441063
N-[4-fluoro-7-[(Z)-prop-1-enyl]cyclohepta-1,3,6-trien-1-yl]methanimine
CID 135128525
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-[(3Z)-2-fluoro-6-methylhepta-1,3-dien-4-yl]methanimine
CID 143321312

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-5-fluorohexa-3,5-dien-3-yl]methanimine?
The IUPAC name of N-[(3Z)-5-fluorohexa-3,5-dien-3-yl]methanimine (CID 171630935) is N-[(3Z)-5-fluorohexa-3,5-dien-3-yl]methanimine.
What is the SMILES notation for N-[(3Z)-5-fluorohexa-3,5-dien-3-yl]methanimine?
The canonical SMILES for N-[(3Z)-5-fluorohexa-3,5-dien-3-yl]methanimine is C=N/C(=C\C(=C)F)CC.
What is the InChIKey of N-[(3Z)-5-fluorohexa-3,5-dien-3-yl]methanimine?
The InChIKey is VTONWJGIUHJBBV-ALCCZGGFSA-N. The full InChI is InChI=1S/C7H10FN/c1-4-7(9-3)5-6(2)8/h5H,2-4H2,1H3/b7-5-.
What are the key properties of N-[(3Z)-5-fluorohexa-3,5-dien-3-yl]methanimine?
N-[(3Z)-5-fluorohexa-3,5-dien-3-yl]methanimine has a molecular weight of 127.16 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-5-fluorohexa-3,5-dien-3-yl]methanimine is sourced from PubChem (CID 171630935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).