N-[(1Z,3Z)-2-methylpenta-1,3-dienyl]methanimidoyl fluoride

C7H10FN — CID 139386678

IUPACN-[(1Z,3Z)-2-methylpenta-1,3-dienyl]methanimidoyl fluoride
SMILESC/C=C\C(C)=C/N=C/F
InChIInChI=1S/C7H10FN/c1-3-4-7(2)5-9-6-8/h3-6H,1-2H3/b4-3-,7-5-,9-6+
InChIKeyFPSMZLIBFBQDIF-CGFWPMDESA-N
MW127.16 g/mol
LogP2.46
Rot. Bonds2

About N-[(1Z,3Z)-2-methylpenta-1,3-dienyl]methanimidoyl fluoride

N-[(1Z,3Z)-2-methylpenta-1,3-dienyl]methanimidoyl fluoride (PubChem CID 139386678) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is N-[(1Z,3Z)-2-methylpenta-1,3-dienyl]methanimidoyl fluoride.

Molecular Properties

Compound NameN-[(1Z,3Z)-2-methylpenta-1,3-dienyl]methanimidoyl fluoride
PubChem CID139386678
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC NameN-[(1Z,3Z)-2-methylpenta-1,3-dienyl]methanimidoyl fluoride
SMILESC/C=C\C(C)=C/N=C/F
InChIInChI=1S/C7H10FN/c1-3-4-7(2)5-9-6-8/h3-6H,1-2H3/b4-3-,7-5-,9-6+
InChIKeyFPSMZLIBFBQDIF-CGFWPMDESA-N
XLogP2.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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-[(1Z,3E)-5-fluoro-4-iodo-2-methylpenta-1,3-dienyl]methanimine
CID 88579421
N-(2-fluoro-4-methylpenta-1,3-dienyl)methanimine
CID 123242234
N-(7-fluoro-4-methyl-3-methylideneocta-1,4,6-trienyl)methanimine
CID 123577773
N-(6-fluoro-4-prop-1-enylhepta-3,5-dien-3-yl)methanimine
CID 124034785
N-[(1Z,3E)-4-fluoro-2-propan-2-ylpenta-1,3-dienyl]methanimine
CID 126510384
N-[(1E,3E)-2-fluoro-4,5,5-trimethylhexa-1,3-dienyl]methanimine
CID 129106496
N-[(1E,3E)-2-fluoro-4-methylhexa-1,3-dienyl]methanimine
CID 129106503
N-[(1E)-2-fluoro-4-methylpenta-1,3-dienyl]methanimine
CID 129234801
N-[(1Z,3E)-4-fluoro-2-methylpenta-1,3-dienyl]methanimine
CID 130296619
N-[(1E,3Z)-1-fluoro-2-methylpenta-1,3-dienyl]methanimine
CID 130403842
N-[(2Z)-4-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine
CID 130413066
N-[(1E,3E,5Z)-4-ethyl-2-fluorohepta-1,3,5-trienyl]methanimine
CID 130413111

Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3Z)-2-methylpenta-1,3-dienyl]methanimidoyl fluoride?
The IUPAC name of N-[(1Z,3Z)-2-methylpenta-1,3-dienyl]methanimidoyl fluoride (CID 139386678) is N-[(1Z,3Z)-2-methylpenta-1,3-dienyl]methanimidoyl fluoride.
What is the SMILES notation for N-[(1Z,3Z)-2-methylpenta-1,3-dienyl]methanimidoyl fluoride?
The canonical SMILES for N-[(1Z,3Z)-2-methylpenta-1,3-dienyl]methanimidoyl fluoride is C/C=C\C(C)=C/N=C/F.
What is the InChIKey of N-[(1Z,3Z)-2-methylpenta-1,3-dienyl]methanimidoyl fluoride?
The InChIKey is FPSMZLIBFBQDIF-CGFWPMDESA-N. The full InChI is InChI=1S/C7H10FN/c1-3-4-7(2)5-9-6-8/h3-6H,1-2H3/b4-3-,7-5-,9-6+.
What are the key properties of N-[(1Z,3Z)-2-methylpenta-1,3-dienyl]methanimidoyl fluoride?
N-[(1Z,3Z)-2-methylpenta-1,3-dienyl]methanimidoyl fluoride has a molecular weight of 127.16 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3Z)-2-methylpenta-1,3-dienyl]methanimidoyl fluoride is sourced from PubChem (CID 139386678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).