N-(1,1-difluoro-3-methylbut-2-en-2-yl)ethanimine

C7H11F2N — CID 155347265

IUPACN-(1,1-difluoro-3-methylbut-2-en-2-yl)ethanimine
SMILESC/C=N/C(=C(C)C)C(F)F
InChIInChI=1S/C7H11F2N/c1-4-10-6(5(2)3)7(8)9/h4,7H,1-3H3/b10-4+
InChIKeyFHQGLOSJLVCTTB-ONNFQVAWSA-N
MW147.17 g/mol
LogP2.64
Rot. Bonds2

About N-(1,1-difluoro-3-methylbut-2-en-2-yl)ethanimine

N-(1,1-difluoro-3-methylbut-2-en-2-yl)ethanimine (PubChem CID 155347265) has the molecular formula C7H11F2N and a molecular weight of 147.17 g/mol. Its IUPAC name is N-(1,1-difluoro-3-methylbut-2-en-2-yl)ethanimine.

Molecular Properties

Compound NameN-(1,1-difluoro-3-methylbut-2-en-2-yl)ethanimine
PubChem CID155347265
Molecular FormulaC7H11F2N
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC NameN-(1,1-difluoro-3-methylbut-2-en-2-yl)ethanimine
SMILESC/C=N/C(=C(C)C)C(F)F
InChIInChI=1S/C7H11F2N/c1-4-10-6(5(2)3)7(8)9/h4,7H,1-3H3/b10-4+
InChIKeyFHQGLOSJLVCTTB-ONNFQVAWSA-N
XLogP2.64
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoro-3-methylbut-2-en-2-yl)ethanimine?
The IUPAC name of N-(1,1-difluoro-3-methylbut-2-en-2-yl)ethanimine (CID 155347265) is N-(1,1-difluoro-3-methylbut-2-en-2-yl)ethanimine.
What is the SMILES notation for N-(1,1-difluoro-3-methylbut-2-en-2-yl)ethanimine?
The canonical SMILES for N-(1,1-difluoro-3-methylbut-2-en-2-yl)ethanimine is C/C=N/C(=C(C)C)C(F)F.
What is the InChIKey of N-(1,1-difluoro-3-methylbut-2-en-2-yl)ethanimine?
The InChIKey is FHQGLOSJLVCTTB-ONNFQVAWSA-N. The full InChI is InChI=1S/C7H11F2N/c1-4-10-6(5(2)3)7(8)9/h4,7H,1-3H3/b10-4+.
What are the key properties of N-(1,1-difluoro-3-methylbut-2-en-2-yl)ethanimine?
N-(1,1-difluoro-3-methylbut-2-en-2-yl)ethanimine has a molecular weight of 147.17 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-difluoro-3-methylbut-2-en-2-yl)ethanimine is sourced from PubChem (CID 155347265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).