N-(1-fluoro-2,3-dimethylbuta-1,3-dienyl)methanimine

C7H10FN — CID 123285144

IUPACN-(1-fluoro-2,3-dimethylbuta-1,3-dienyl)methanimine
SMILESC=NC(F)=C(C)C(=C)C
InChIInChI=1S/C7H10FN/c1-5(2)6(3)7(8)9-4/h1,4H2,2-3H3
InChIKeyXFBMBLRYMRDHNZ-UHFFFAOYSA-N
MW127.16 g/mol
LogP2.46
Rot. Bonds2

About N-(1-fluoro-2,3-dimethylbuta-1,3-dienyl)methanimine

N-(1-fluoro-2,3-dimethylbuta-1,3-dienyl)methanimine (PubChem CID 123285144) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is N-(1-fluoro-2,3-dimethylbuta-1,3-dienyl)methanimine.

Molecular Properties

Compound NameN-(1-fluoro-2,3-dimethylbuta-1,3-dienyl)methanimine
PubChem CID123285144
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC NameN-(1-fluoro-2,3-dimethylbuta-1,3-dienyl)methanimine
SMILESC=NC(F)=C(C)C(=C)C
InChIInChI=1S/C7H10FN/c1-5(2)6(3)7(8)9-4/h1,4H2,2-3H3
InChIKeyXFBMBLRYMRDHNZ-UHFFFAOYSA-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

N-[(E)-2-methylbut-1-enyl]methanimidoyl fluoride
CID 89513791
N-(2-fluoro-3-methylbuta-1,3-dienyl)methanimine
CID 123320493
N-[(E)-3-fluoro-2-methylbut-1-enyl]methanimine
CID 130279947
N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]methanimine
CID 143420581
N-[(1E)-1-fluoro-3-methylbuta-1,3-dienyl]methanimine
CID 143567934
N-[(1E)-1-fluoro-2-methylbuta-1,3-dienyl]methanimine
CID 143849020
N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]ethanimine
CID 144826258
N-[(1Z,3Z)-1,2-difluoro-3-methylpenta-1,3-dienyl]methanimine
CID 144830398
N-[(1E,3Z)-1-fluoro-3-methylpenta-1,3-dienyl]methanimine
CID 154931880
N-[(E)-2-fluoro-3-methylidenepent-1-enyl]methanimine
CID 163369917
N-[(1Z)-1-chloro-2-fluoro-3-methylbuta-1,3-dienyl]methanimine
CID 172614290
(1E)-N-[(1E,3Z)-1-fluoro-3-methylpenta-1,3-dienyl]methanimidoyl fluoride
CID 143620754

Frequently Asked Questions

What is the IUPAC name of N-(1-fluoro-2,3-dimethylbuta-1,3-dienyl)methanimine?
The IUPAC name of N-(1-fluoro-2,3-dimethylbuta-1,3-dienyl)methanimine (CID 123285144) is N-(1-fluoro-2,3-dimethylbuta-1,3-dienyl)methanimine.
What is the SMILES notation for N-(1-fluoro-2,3-dimethylbuta-1,3-dienyl)methanimine?
The canonical SMILES for N-(1-fluoro-2,3-dimethylbuta-1,3-dienyl)methanimine is C=NC(F)=C(C)C(=C)C.
What is the InChIKey of N-(1-fluoro-2,3-dimethylbuta-1,3-dienyl)methanimine?
The InChIKey is XFBMBLRYMRDHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN/c1-5(2)6(3)7(8)9-4/h1,4H2,2-3H3.
What are the key properties of N-(1-fluoro-2,3-dimethylbuta-1,3-dienyl)methanimine?
N-(1-fluoro-2,3-dimethylbuta-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-(1-fluoro-2,3-dimethylbuta-1,3-dienyl)methanimine is sourced from PubChem (CID 123285144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).