(Z)-4,4,4-trifluoro-2-(propan-2-ylideneamino)but-1-en-1-amine

C7H11F3N2 — CID 90066862

IUPAC(Z)-4,4,4-trifluoro-2-(propan-2-ylideneamino)but-1-en-1-amine
SMILESCC(C)=N/C(=C\N)CC(F)(F)F
InChIInChI=1S/C7H11F3N2/c1-5(2)12-6(4-11)3-7(8,9)10/h4H,3,11H2,1-2H3/b6-4-
InChIKeyPJTIPCSVHVASQL-XQRVVYSFSA-N
MW180.17 g/mol
LogP2.22
Rot. Bonds2

About (Z)-4,4,4-trifluoro-2-(propan-2-ylideneamino)but-1-en-1-amine

(Z)-4,4,4-trifluoro-2-(propan-2-ylideneamino)but-1-en-1-amine (PubChem CID 90066862) has the molecular formula C7H11F3N2 and a molecular weight of 180.17 g/mol. Its IUPAC name is (Z)-4,4,4-trifluoro-2-(propan-2-ylideneamino)but-1-en-1-amine.

Molecular Properties

Compound Name(Z)-4,4,4-trifluoro-2-(propan-2-ylideneamino)but-1-en-1-amine
PubChem CID90066862
Molecular FormulaC7H11F3N2
Molecular Weight180.17 g/mol
Exact Mass180.09
IUPAC Name(Z)-4,4,4-trifluoro-2-(propan-2-ylideneamino)but-1-en-1-amine
SMILESCC(C)=N/C(=C\N)CC(F)(F)F
InChIInChI=1S/C7H11F3N2/c1-5(2)12-6(4-11)3-7(8,9)10/h4H,3,11H2,1-2H3/b6-4-
InChIKeyPJTIPCSVHVASQL-XQRVVYSFSA-N
XLogP2.22
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 52.22
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

(Z)-1-(1,1,1-trifluorobut-3-en-2-ylideneamino)prop-1-en-2-amine
CID 88890689
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)-1,1,1-trifluoro-4-N-propan-2-ylidenebut-3-ene-2,4-diimine
CID 144204592
1,1-difluoro-N-[(Z)-2-(methylideneamino)prop-1-enyl]propan-2-imine
CID 146506029
(Z)-3,3,3-trifluoro-1-(propan-2-ylideneamino)prop-1-en-2-amine
CID 155374203
(Z)-4,4-difluoro-3-methyliminobut-1-en-1-amine
CID 156890367
(2-Amino-4,4,4-trifluoro-3-iminobut-1-enyl)-methylazanium
CID 163952323
N-[(E)-2-fluoro-3-iminobut-1-enyl]ethanimidoyl fluoride
CID 167231763
(Z)-3-(2,2,2-trifluoroethylimino)but-1-en-1-amine
CID 168935654
(E)-4,4,4-trifluoro-3-methyliminobut-1-ene-1,2-diamine
CID 169213382
(E)-4,4,4-trifluoro-3-propan-2-yliminobut-1-ene-1,2-diamine
CID 169213599

Frequently Asked Questions

What is the IUPAC name of (Z)-4,4,4-trifluoro-2-(propan-2-ylideneamino)but-1-en-1-amine?
The IUPAC name of (Z)-4,4,4-trifluoro-2-(propan-2-ylideneamino)but-1-en-1-amine (CID 90066862) is (Z)-4,4,4-trifluoro-2-(propan-2-ylideneamino)but-1-en-1-amine.
What is the SMILES notation for (Z)-4,4,4-trifluoro-2-(propan-2-ylideneamino)but-1-en-1-amine?
The canonical SMILES for (Z)-4,4,4-trifluoro-2-(propan-2-ylideneamino)but-1-en-1-amine is CC(C)=N/C(=C\N)CC(F)(F)F.
What is the InChIKey of (Z)-4,4,4-trifluoro-2-(propan-2-ylideneamino)but-1-en-1-amine?
The InChIKey is PJTIPCSVHVASQL-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H11F3N2/c1-5(2)12-6(4-11)3-7(8,9)10/h4H,3,11H2,1-2H3/b6-4-.
What are the key properties of (Z)-4,4,4-trifluoro-2-(propan-2-ylideneamino)but-1-en-1-amine?
(Z)-4,4,4-trifluoro-2-(propan-2-ylideneamino)but-1-en-1-amine has a molecular weight of 180.17 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,4,4-trifluoro-2-(propan-2-ylideneamino)but-1-en-1-amine is sourced from PubChem (CID 90066862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).