3-(1,1-difluoropropan-2-ylimino)but-1-en-1-amine

C7H12F2N2 — CID 174073351

IUPAC3-(1,1-difluoropropan-2-ylimino)but-1-en-1-amine
SMILESC/C(C=CN)=N\C(C)C(F)F
InChIInChI=1S/C7H12F2N2/c1-5(3-4-10)11-6(2)7(8)9/h3-4,6-7H,10H2,1-2H3/b4-3?,11-5+
InChIKeyDKUHKDIWBXSQPT-PLKYTOJASA-N
MW162.18 g/mol
LogP1.57
Rot. Bonds3

About 3-(1,1-difluoropropan-2-ylimino)but-1-en-1-amine

3-(1,1-difluoropropan-2-ylimino)but-1-en-1-amine (PubChem CID 174073351) has the molecular formula C7H12F2N2 and a molecular weight of 162.18 g/mol. Its IUPAC name is 3-(1,1-difluoropropan-2-ylimino)but-1-en-1-amine.

Molecular Properties

Compound Name3-(1,1-difluoropropan-2-ylimino)but-1-en-1-amine
PubChem CID174073351
Molecular FormulaC7H12F2N2
Molecular Weight162.18 g/mol
Exact Mass162.10
IUPAC Name3-(1,1-difluoropropan-2-ylimino)but-1-en-1-amine
SMILESC/C(C=CN)=N\C(C)C(F)F
InChIInChI=1S/C7H12F2N2/c1-5(3-4-10)11-6(2)7(8)9/h3-4,6-7H,10H2,1-2H3/b4-3?,11-5+
InChIKeyDKUHKDIWBXSQPT-PLKYTOJASA-N
XLogP1.57
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 51.57
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 3-(1,1-difluoropropan-2-ylimino)but-1-en-1-amine?
The IUPAC name of 3-(1,1-difluoropropan-2-ylimino)but-1-en-1-amine (CID 174073351) is 3-(1,1-difluoropropan-2-ylimino)but-1-en-1-amine.
What is the SMILES notation for 3-(1,1-difluoropropan-2-ylimino)but-1-en-1-amine?
The canonical SMILES for 3-(1,1-difluoropropan-2-ylimino)but-1-en-1-amine is C/C(C=CN)=N\C(C)C(F)F.
What is the InChIKey of 3-(1,1-difluoropropan-2-ylimino)but-1-en-1-amine?
The InChIKey is DKUHKDIWBXSQPT-PLKYTOJASA-N. The full InChI is InChI=1S/C7H12F2N2/c1-5(3-4-10)11-6(2)7(8)9/h3-4,6-7H,10H2,1-2H3/b4-3?,11-5+.
What are the key properties of 3-(1,1-difluoropropan-2-ylimino)but-1-en-1-amine?
3-(1,1-difluoropropan-2-ylimino)but-1-en-1-amine has a molecular weight of 162.18 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoropropan-2-ylimino)but-1-en-1-amine is sourced from PubChem (CID 174073351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).