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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-1-(1,1,1-trifluorobut-3-en-2-ylideneamino)prop-1-en-2-amine
CID 88890689
(Z)-4,4,4-trifluoro-2-(propan-2-ylideneamino)but-1-en-1-amine
CID 90066862
(E)-4-[[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]amino]but-3-en-2-amine
CID 91527004
(Z)-4,4,4-trifluoro-3-[(Z)-pent-2-en-3-yl]iminobut-1-en-1-amine
CID 126672163
(Z)-4-N-methylidene-2-N-(2,2,2-trifluoroethyl)but-3-ene-2,4-diimine
CID 130413505
2-[(Z)-4,4-difluorobut-1-enyl]iminobut-3-en-1-amine
CID 132157969
(Z)-4,4,4-trifluoro-3-prop-1-en-2-yliminobut-1-en-1-amine
CID 138628399
ethyl-[(Z)-4,4,4-trifluoro-3-iminobut-1-enyl]azanium
CID 142308476
(Z)-1,1,1-trifluoro-4-N-propan-2-ylidenebut-3-ene-2,4-diimine
CID 144204592
3-(Difluoromethylimino)-4-methylpent-1-en-1-amine
CID 153070776
(Z)-4,4-difluoro-3-methyliminobut-1-en-1-amine
CID 156890367
4,4,4-Trifluoro-3-iminobut-1-en-1-amine
CID 162535113

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).