4,4-difluoro-2-methyl-1-methyliminobut-3-en-2-amine

C6H10F2N2 — CID 163617977

IUPAC4,4-difluoro-2-methyl-1-methyliminobut-3-en-2-amine
SMILESC/N=C/C(C)(N)C=C(F)F
InChIInChI=1S/C6H10F2N2/c1-6(9,4-10-2)3-5(7)8/h3-4H,9H2,1-2H3/b10-4+
InChIKeyHLPOAPPMJKKJQY-ONNFQVAWSA-N
MW148.16 g/mol
LogP1.18
Rot. Bonds2

About 4,4-difluoro-2-methyl-1-methyliminobut-3-en-2-amine

4,4-difluoro-2-methyl-1-methyliminobut-3-en-2-amine (PubChem CID 163617977) has the molecular formula C6H10F2N2 and a molecular weight of 148.16 g/mol. Its IUPAC name is 4,4-difluoro-2-methyl-1-methyliminobut-3-en-2-amine.

Molecular Properties

Compound Name4,4-difluoro-2-methyl-1-methyliminobut-3-en-2-amine
PubChem CID163617977
Molecular FormulaC6H10F2N2
Molecular Weight148.16 g/mol
Exact Mass148.08
IUPAC Name4,4-difluoro-2-methyl-1-methyliminobut-3-en-2-amine
SMILESC/N=C/C(C)(N)C=C(F)F
InChIInChI=1S/C6H10F2N2/c1-6(9,4-10-2)3-5(7)8/h3-4H,9H2,1-2H3/b10-4+
InChIKeyHLPOAPPMJKKJQY-ONNFQVAWSA-N
XLogP1.18
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4,4-difluoro-2-methyl-1-methyliminobut-3-en-2-amine?
The IUPAC name of 4,4-difluoro-2-methyl-1-methyliminobut-3-en-2-amine (CID 163617977) is 4,4-difluoro-2-methyl-1-methyliminobut-3-en-2-amine.
What is the SMILES notation for 4,4-difluoro-2-methyl-1-methyliminobut-3-en-2-amine?
The canonical SMILES for 4,4-difluoro-2-methyl-1-methyliminobut-3-en-2-amine is C/N=C/C(C)(N)C=C(F)F.
What is the InChIKey of 4,4-difluoro-2-methyl-1-methyliminobut-3-en-2-amine?
The InChIKey is HLPOAPPMJKKJQY-ONNFQVAWSA-N. The full InChI is InChI=1S/C6H10F2N2/c1-6(9,4-10-2)3-5(7)8/h3-4H,9H2,1-2H3/b10-4+.
What are the key properties of 4,4-difluoro-2-methyl-1-methyliminobut-3-en-2-amine?
4,4-difluoro-2-methyl-1-methyliminobut-3-en-2-amine has a molecular weight of 148.16 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2-methyl-1-methyliminobut-3-en-2-amine is sourced from PubChem (CID 163617977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).