(Z)-3-(1,1-difluoropropan-2-ylimino)pent-1-en-1-amine

C8H14F2N2 — CID 168935644

IUPAC(Z)-3-(1,1-difluoropropan-2-ylimino)pent-1-en-1-amine
SMILESCCC(/C=C\N)=N\C(C)C(F)F
InChIInChI=1S/C8H14F2N2/c1-3-7(4-5-11)12-6(2)8(9)10/h4-6,8H,3,11H2,1-2H3/b5-4-,12-7+
InChIKeyFQAOBXMVSWEHAB-HCRNJAACSA-N
MW176.21 g/mol
LogP1.96
Rot. Bonds4

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

(Z)-3-(1,1-difluoropropan-2-ylimino)pent-1-en-1-amine (PubChem CID 168935644) has the molecular formula C8H14F2N2 and a molecular weight of 176.21 g/mol. Its IUPAC name is (Z)-3-(1,1-difluoropropan-2-ylimino)pent-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-(1,1-difluoropropan-2-ylimino)pent-1-en-1-amine
PubChem CID168935644
Molecular FormulaC8H14F2N2
Molecular Weight176.21 g/mol
Exact Mass176.11
IUPAC Name(Z)-3-(1,1-difluoropropan-2-ylimino)pent-1-en-1-amine
SMILESCCC(/C=C\N)=N\C(C)C(F)F
InChIInChI=1S/C8H14F2N2/c1-3-7(4-5-11)12-6(2)8(9)10/h4-6,8H,3,11H2,1-2H3/b5-4-,12-7+
InChIKeyFQAOBXMVSWEHAB-HCRNJAACSA-N
XLogP1.96
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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
(Z)-2-methyl-4-(1,1,1-trifluorobutan-2-ylideneamino)but-3-en-1-amine
CID 143342121
(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
(Z)-3-(2,2,2-trifluoroethylimino)but-1-en-1-amine
CID 168935654
(Z)-3-(1-fluoropropan-2-ylimino)but-1-en-1-amine
CID 168935877
(Z)-3-(2,2-difluoroethylimino)pent-1-en-1-amine
CID 168936282
3-Ethenylimino-4-fluoropent-4-en-2-amine
CID 170619288
4,4,4-Trifluoro-3-methyliminobut-1-en-1-amine
CID 173943264
4,4-Difluoro-3-methyliminobut-1-en-1-amine
CID 173976808

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(1,1-difluoropropan-2-ylimino)pent-1-en-1-amine?
The IUPAC name of (Z)-3-(1,1-difluoropropan-2-ylimino)pent-1-en-1-amine (CID 168935644) is (Z)-3-(1,1-difluoropropan-2-ylimino)pent-1-en-1-amine.
What is the SMILES notation for (Z)-3-(1,1-difluoropropan-2-ylimino)pent-1-en-1-amine?
The canonical SMILES for (Z)-3-(1,1-difluoropropan-2-ylimino)pent-1-en-1-amine is CCC(/C=C\N)=N\C(C)C(F)F.
What is the InChIKey of (Z)-3-(1,1-difluoropropan-2-ylimino)pent-1-en-1-amine?
The InChIKey is FQAOBXMVSWEHAB-HCRNJAACSA-N. The full InChI is InChI=1S/C8H14F2N2/c1-3-7(4-5-11)12-6(2)8(9)10/h4-6,8H,3,11H2,1-2H3/b5-4-,12-7+.
What are the key properties of (Z)-3-(1,1-difluoropropan-2-ylimino)pent-1-en-1-amine?
(Z)-3-(1,1-difluoropropan-2-ylimino)pent-1-en-1-amine has a molecular weight of 176.21 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(1,1-difluoropropan-2-ylimino)pent-1-en-1-amine is sourced from PubChem (CID 168935644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).