N-[(1E,3Z)-1-fluoro-3-methylpenta-1,3-dienyl]methanimine

C7H10FN — CID 154931880

IUPACN-[(1E,3Z)-1-fluoro-3-methylpenta-1,3-dienyl]methanimine
SMILESC=N/C(F)=C\C(C)=C/C
InChIInChI=1S/C7H10FN/c1-4-6(2)5-7(8)9-3/h4-5H,3H2,1-2H3/b6-4-,7-5-
InChIKeyPXMMXAONTMNIFL-PEPZGXQESA-N
MW127.16 g/mol
LogP2.46
Rot. Bonds2

About N-[(1E,3Z)-1-fluoro-3-methylpenta-1,3-dienyl]methanimine

N-[(1E,3Z)-1-fluoro-3-methylpenta-1,3-dienyl]methanimine (PubChem CID 154931880) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is N-[(1E,3Z)-1-fluoro-3-methylpenta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1E,3Z)-1-fluoro-3-methylpenta-1,3-dienyl]methanimine
PubChem CID154931880
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC NameN-[(1E,3Z)-1-fluoro-3-methylpenta-1,3-dienyl]methanimine
SMILESC=N/C(F)=C\C(C)=C/C
InChIInChI=1S/C7H10FN/c1-4-6(2)5-7(8)9-3/h4-5H,3H2,1-2H3/b6-4-,7-5-
InChIKeyPXMMXAONTMNIFL-PEPZGXQESA-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': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4E)-2-fluoro-4-methylhexa-2,4-diene
CID 143698072
(3E,5Z)-3-fluoro-2,5-dimethylhepta-1,3,5-triene
CID 142210415
(2Z,4Z)-4-methyl-2-(methylideneamino)hexa-2,4-dienenitrile
CID 138661706
[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl] thiohypofluorite
CID 143818483
2,5-dimethyl-3-prop-1-en-2-ylhepta-1,3,5-triene
CID 91175342
ethane;N-[(3E,5Z)-3-ethoxy-5-methylhepta-1,3,5-trien-2-yl]methanimine
CID 143256249
(2Z,4Z)-4-methylhexa-2,4-dien-2-amine
CID 126728104
2-bromo-4-methylhexa-2,4-diene
CID 76702782
(2Z,4Z,6Z)-3,4,6-trimethylocta-2,4,6-triene
CID 142039521
N-[(E)-but-2-en-2-yl]methanimine;ethane
CID 145473397
(3E,5Z)-2,5-dimethylhepta-1,3,5-trien-3-amine
CID 142809579
N-[(1Z,3E)-2-methylpenta-1,3-dienyl]methanimine
CID 89119181

Frequently Asked Questions

What is the IUPAC name of N-[(1E,3Z)-1-fluoro-3-methylpenta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1E,3Z)-1-fluoro-3-methylpenta-1,3-dienyl]methanimine (CID 154931880) is N-[(1E,3Z)-1-fluoro-3-methylpenta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1E,3Z)-1-fluoro-3-methylpenta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1E,3Z)-1-fluoro-3-methylpenta-1,3-dienyl]methanimine is C=N/C(F)=C\C(C)=C/C.
What is the InChIKey of N-[(1E,3Z)-1-fluoro-3-methylpenta-1,3-dienyl]methanimine?
The InChIKey is PXMMXAONTMNIFL-PEPZGXQESA-N. The full InChI is InChI=1S/C7H10FN/c1-4-6(2)5-7(8)9-3/h4-5H,3H2,1-2H3/b6-4-,7-5-.
What are the key properties of N-[(1E,3Z)-1-fluoro-3-methylpenta-1,3-dienyl]methanimine?
N-[(1E,3Z)-1-fluoro-3-methylpenta-1,3-dienyl]methanimine 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-[(1E,3Z)-1-fluoro-3-methylpenta-1,3-dienyl]methanimine is sourced from PubChem (CID 154931880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).