[(5Z)-6-amino-3,3-difluoro-2-methylhepta-1,5-dien-4-ylidene]azanium

C8H13F2N2+ — CID 156722210

IUPAC[(5Z)-6-amino-3,3-difluoro-2-methylhepta-1,5-dien-4-ylidene]azanium
SMILESC=C(C)C(F)(F)C(=[NH2+])/C=C(/C)N
InChIInChI=1S/C8H12F2N2/c1-5(2)8(9,10)7(12)4-6(3)11/h4,12H,1,11H2,2-3H3/p+1/b6-4-,12-7?
InChIKeyRUZCHBZNZZMIMA-RJJAQFINSA-O
MW175.20 g/mol
LogP0.26
Rot. Bonds3

About [(5Z)-6-amino-3,3-difluoro-2-methylhepta-1,5-dien-4-ylidene]azanium

[(5Z)-6-amino-3,3-difluoro-2-methylhepta-1,5-dien-4-ylidene]azanium (PubChem CID 156722210) has the molecular formula C8H13F2N2+ and a molecular weight of 175.20 g/mol. Its IUPAC name is [(5Z)-6-amino-3,3-difluoro-2-methylhepta-1,5-dien-4-ylidene]azanium.

Molecular Properties

Compound Name[(5Z)-6-amino-3,3-difluoro-2-methylhepta-1,5-dien-4-ylidene]azanium
PubChem CID156722210
Molecular FormulaC8H13F2N2+
Molecular Weight175.20 g/mol
Exact Mass175.10
IUPAC Name[(5Z)-6-amino-3,3-difluoro-2-methylhepta-1,5-dien-4-ylidene]azanium
SMILESC=C(C)C(F)(F)C(=[NH2+])/C=C(/C)N
InChIInChI=1S/C8H12F2N2/c1-5(2)8(9,10)7(12)4-6(3)11/h4,12H,1,11H2,2-3H3/p+1/b6-4-,12-7?
InChIKeyRUZCHBZNZZMIMA-RJJAQFINSA-O
XLogP0.26
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(5Z)-6-amino-3,3-difluoro-2-methylhepta-1,5-dien-4-ylidene]azanium?
The IUPAC name of [(5Z)-6-amino-3,3-difluoro-2-methylhepta-1,5-dien-4-ylidene]azanium (CID 156722210) is [(5Z)-6-amino-3,3-difluoro-2-methylhepta-1,5-dien-4-ylidene]azanium.
What is the SMILES notation for [(5Z)-6-amino-3,3-difluoro-2-methylhepta-1,5-dien-4-ylidene]azanium?
The canonical SMILES for [(5Z)-6-amino-3,3-difluoro-2-methylhepta-1,5-dien-4-ylidene]azanium is C=C(C)C(F)(F)C(=[NH2+])/C=C(/C)N.
What is the InChIKey of [(5Z)-6-amino-3,3-difluoro-2-methylhepta-1,5-dien-4-ylidene]azanium?
The InChIKey is RUZCHBZNZZMIMA-RJJAQFINSA-O. The full InChI is InChI=1S/C8H12F2N2/c1-5(2)8(9,10)7(12)4-6(3)11/h4,12H,1,11H2,2-3H3/p+1/b6-4-,12-7?.
What are the key properties of [(5Z)-6-amino-3,3-difluoro-2-methylhepta-1,5-dien-4-ylidene]azanium?
[(5Z)-6-amino-3,3-difluoro-2-methylhepta-1,5-dien-4-ylidene]azanium has a molecular weight of 175.20 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(5Z)-6-amino-3,3-difluoro-2-methylhepta-1,5-dien-4-ylidene]azanium is sourced from PubChem (CID 156722210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).