(Z)-3-(1-fluoropropan-2-ylimino)but-1-en-1-amine

C7H13FN2 — CID 168935877

IUPAC(Z)-3-(1-fluoropropan-2-ylimino)but-1-en-1-amine
SMILESCC(/C=C\N)=N\C(C)CF
InChIInChI=1S/C7H13FN2/c1-6(3-4-9)10-7(2)5-8/h3-4,7H,5,9H2,1-2H3/b4-3-,10-6+
InChIKeyBURBIXDQWWNNOU-GEEJUIKGSA-N
MW144.19 g/mol
LogP1.28
Rot. Bonds3

About (Z)-3-(1-fluoropropan-2-ylimino)but-1-en-1-amine

(Z)-3-(1-fluoropropan-2-ylimino)but-1-en-1-amine (PubChem CID 168935877) has the molecular formula C7H13FN2 and a molecular weight of 144.19 g/mol. Its IUPAC name is (Z)-3-(1-fluoropropan-2-ylimino)but-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-(1-fluoropropan-2-ylimino)but-1-en-1-amine
PubChem CID168935877
Molecular FormulaC7H13FN2
Molecular Weight144.19 g/mol
Exact Mass144.11
IUPAC Name(Z)-3-(1-fluoropropan-2-ylimino)but-1-en-1-amine
SMILESCC(/C=C\N)=N\C(C)CF
InChIInChI=1S/C7H13FN2/c1-6(3-4-9)10-7(2)5-8/h3-4,7H,5,9H2,1-2H3/b4-3-,10-6+
InChIKeyBURBIXDQWWNNOU-GEEJUIKGSA-N
XLogP1.28
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 51.28
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
(E)-N-fluoro-3-imino-N-methylbut-1-en-1-amine
CID 135268079
(Z)-4,4,4-trifluoro-3-prop-1-en-2-yliminobut-1-en-1-amine
CID 138628399
(Z)-1,1,1-trifluoro-4-N-propan-2-ylidenebut-3-ene-2,4-diimine
CID 144204592
(Z)-4,4-difluoro-3-methyliminobut-1-en-1-amine
CID 156890367
N-[(E)-2-fluoro-3-iminobut-1-enyl]ethanimidoyl fluoride
CID 167231763
(Z)-3-(1,1-difluoropropan-2-ylimino)pent-1-en-1-amine
CID 168935644
(Z)-3-(2,2,2-trifluoroethylimino)but-1-en-1-amine
CID 168935654
(Z)-3-(2,2-difluoroethylimino)pent-1-en-1-amine
CID 168936282
(E)-4,4,4-trifluoro-3-propan-2-yliminobut-1-ene-1,2-diamine
CID 169213599
3-Ethenylimino-4-fluoropent-4-en-2-amine
CID 170619288
(E)-2-fluoro-3-(1-fluoroethylimino)but-1-en-1-amine
CID 173702974

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(1-fluoropropan-2-ylimino)but-1-en-1-amine?
The IUPAC name of (Z)-3-(1-fluoropropan-2-ylimino)but-1-en-1-amine (CID 168935877) is (Z)-3-(1-fluoropropan-2-ylimino)but-1-en-1-amine.
What is the SMILES notation for (Z)-3-(1-fluoropropan-2-ylimino)but-1-en-1-amine?
The canonical SMILES for (Z)-3-(1-fluoropropan-2-ylimino)but-1-en-1-amine is CC(/C=C\N)=N\C(C)CF.
What is the InChIKey of (Z)-3-(1-fluoropropan-2-ylimino)but-1-en-1-amine?
The InChIKey is BURBIXDQWWNNOU-GEEJUIKGSA-N. The full InChI is InChI=1S/C7H13FN2/c1-6(3-4-9)10-7(2)5-8/h3-4,7H,5,9H2,1-2H3/b4-3-,10-6+.
What are the key properties of (Z)-3-(1-fluoropropan-2-ylimino)but-1-en-1-amine?
(Z)-3-(1-fluoropropan-2-ylimino)but-1-en-1-amine has a molecular weight of 144.19 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(1-fluoropropan-2-ylimino)but-1-en-1-amine is sourced from PubChem (CID 168935877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).