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

C7H12F2N2 — CID 174073389

IUPAC3-(1,3-difluoropropan-2-ylimino)but-1-en-1-amine
SMILESC/C(C=CN)=N\C(CF)CF
InChIInChI=1S/C7H12F2N2/c1-6(2-3-10)11-7(4-8)5-9/h2-3,7H,4-5,10H2,1H3/b3-2?,11-6+
InChIKeyWWJLRENOOFFLGH-LMWDSAMRSA-N
MW162.18 g/mol
LogP1.23
Rot. Bonds4

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

3-(1,3-difluoropropan-2-ylimino)but-1-en-1-amine (PubChem CID 174073389) has the molecular formula C7H12F2N2 and a molecular weight of 162.18 g/mol. Its IUPAC name is 3-(1,3-difluoropropan-2-ylimino)but-1-en-1-amine.

Molecular Properties

Compound Name3-(1,3-difluoropropan-2-ylimino)but-1-en-1-amine
PubChem CID174073389
Molecular FormulaC7H12F2N2
Molecular Weight162.18 g/mol
Exact Mass162.10
IUPAC Name3-(1,3-difluoropropan-2-ylimino)but-1-en-1-amine
SMILESC/C(C=CN)=N\C(CF)CF
InChIInChI=1S/C7H12F2N2/c1-6(2-3-10)11-7(4-8)5-9/h2-3,7H,4-5,10H2,1H3/b3-2?,11-6+
InChIKeyWWJLRENOOFFLGH-LMWDSAMRSA-N
XLogP1.23
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 51.23
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-(1,3-difluoropropan-2-ylimino)but-1-en-1-amine?
The IUPAC name of 3-(1,3-difluoropropan-2-ylimino)but-1-en-1-amine (CID 174073389) is 3-(1,3-difluoropropan-2-ylimino)but-1-en-1-amine.
What is the SMILES notation for 3-(1,3-difluoropropan-2-ylimino)but-1-en-1-amine?
The canonical SMILES for 3-(1,3-difluoropropan-2-ylimino)but-1-en-1-amine is C/C(C=CN)=N\C(CF)CF.
What is the InChIKey of 3-(1,3-difluoropropan-2-ylimino)but-1-en-1-amine?
The InChIKey is WWJLRENOOFFLGH-LMWDSAMRSA-N. The full InChI is InChI=1S/C7H12F2N2/c1-6(2-3-10)11-7(4-8)5-9/h2-3,7H,4-5,10H2,1H3/b3-2?,11-6+.
What are the key properties of 3-(1,3-difluoropropan-2-ylimino)but-1-en-1-amine?
3-(1,3-difluoropropan-2-ylimino)but-1-en-1-amine has a molecular weight of 162.18 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-difluoropropan-2-ylimino)but-1-en-1-amine is sourced from PubChem (CID 174073389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).