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

C7H9F2N — CID 143620754

IUPAC(1E)-N-[(1E,3Z)-1-fluoro-3-methylpenta-1,3-dienyl]methanimidoyl fluoride
SMILESC/C=C(C)\C=C(F)/N=C/F
InChIInChI=1S/C7H9F2N/c1-3-6(2)4-7(9)10-5-8/h3-5H,1-2H3/b6-3-,7-4-,10-5+
InChIKeyPUOKYGMGNHZBKH-PELDVPSQSA-N
MW145.15 g/mol
LogP2.76
Rot. Bonds2

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

(1E)-N-[(1E,3Z)-1-fluoro-3-methylpenta-1,3-dienyl]methanimidoyl fluoride (PubChem CID 143620754) has the molecular formula C7H9F2N and a molecular weight of 145.15 g/mol. Its IUPAC name is (1E)-N-[(1E,3Z)-1-fluoro-3-methylpenta-1,3-dienyl]methanimidoyl fluoride.

Molecular Properties

Compound Name(1E)-N-[(1E,3Z)-1-fluoro-3-methylpenta-1,3-dienyl]methanimidoyl fluoride
PubChem CID143620754
Molecular FormulaC7H9F2N
Molecular Weight145.15 g/mol
Exact Mass145.07
IUPAC Name(1E)-N-[(1E,3Z)-1-fluoro-3-methylpenta-1,3-dienyl]methanimidoyl fluoride
SMILESC/C=C(C)\C=C(F)/N=C/F
InChIInChI=1S/C7H9F2N/c1-3-6(2)4-7(9)10-5-8/h3-5H,1-2H3/b6-3-,7-4-,10-5+
InChIKeyPUOKYGMGNHZBKH-PELDVPSQSA-N
XLogP2.76
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.15
LogP ≤ 52.76
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-(1-fluoro-2,3-dimethylbuta-1,3-dienyl)methanimine
CID 123285144
N-[4-(trifluoromethyl)penta-2,4-dien-2-yl]methanimine
CID 123476058
N-[(1E,3E)-1,5,5,5-tetrafluoro-4-methylpenta-1,3-dienyl]methanimine
CID 129260202
N-[(1E,3E)-4-chloro-1-fluoro-3-methylpenta-1,3-dienyl]methanimine
CID 130346318
N-[(1E,3Z)-1-fluoro-2-methylpenta-1,3-dienyl]methanimine
CID 130403842
N-[(1Z,3Z)-3-methylhexa-1,3,5-trienyl]methanimidoyl fluoride
CID 143398737
N-[(1E)-1-fluoro-3-methylbuta-1,3-dienyl]methanimine
CID 143567934
N-[(2Z,4E)-4-(trifluoromethyl)hexa-2,4-dien-2-yl]methanimine
CID 143599195
ethane;N-[(2Z)-1,1,1-trifluoro-4-methylpenta-2,4-dien-2-yl]methanimine
CID 144514660
N-[(2Z)-1,1,1-trifluoro-4-methylpenta-2,4-dien-2-yl]methanimine
CID 144514661
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

Frequently Asked Questions

What is the IUPAC name of (1E)-N-[(1E,3Z)-1-fluoro-3-methylpenta-1,3-dienyl]methanimidoyl fluoride?
The IUPAC name of (1E)-N-[(1E,3Z)-1-fluoro-3-methylpenta-1,3-dienyl]methanimidoyl fluoride (CID 143620754) is (1E)-N-[(1E,3Z)-1-fluoro-3-methylpenta-1,3-dienyl]methanimidoyl fluoride.
What is the SMILES notation for (1E)-N-[(1E,3Z)-1-fluoro-3-methylpenta-1,3-dienyl]methanimidoyl fluoride?
The canonical SMILES for (1E)-N-[(1E,3Z)-1-fluoro-3-methylpenta-1,3-dienyl]methanimidoyl fluoride is C/C=C(C)\C=C(F)/N=C/F.
What is the InChIKey of (1E)-N-[(1E,3Z)-1-fluoro-3-methylpenta-1,3-dienyl]methanimidoyl fluoride?
The InChIKey is PUOKYGMGNHZBKH-PELDVPSQSA-N. The full InChI is InChI=1S/C7H9F2N/c1-3-6(2)4-7(9)10-5-8/h3-5H,1-2H3/b6-3-,7-4-,10-5+.
What are the key properties of (1E)-N-[(1E,3Z)-1-fluoro-3-methylpenta-1,3-dienyl]methanimidoyl fluoride?
(1E)-N-[(1E,3Z)-1-fluoro-3-methylpenta-1,3-dienyl]methanimidoyl fluoride has a molecular weight of 145.15 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N-[(1E,3Z)-1-fluoro-3-methylpenta-1,3-dienyl]methanimidoyl fluoride is sourced from PubChem (CID 143620754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).