(Z)-5,5,5-trifluoro-4-propan-2-yliminopent-2-en-2-amine

C8H13F3N2 — CID 154519028

IUPAC(Z)-5,5,5-trifluoro-4-propan-2-yliminopent-2-en-2-amine
SMILESC/C(N)=C/C(=N/C(C)C)C(F)(F)F
InChIInChI=1S/C8H13F3N2/c1-5(2)13-7(4-6(3)12)8(9,10)11/h4-5H,12H2,1-3H3/b6-4-,13-7-
InChIKeyYIFIRTJTKLJWQZ-LNPZZTDESA-N
MW194.20 g/mol
LogP2.26
Rot. Bonds2

About (Z)-5,5,5-trifluoro-4-propan-2-yliminopent-2-en-2-amine

(Z)-5,5,5-trifluoro-4-propan-2-yliminopent-2-en-2-amine (PubChem CID 154519028) has the molecular formula C8H13F3N2 and a molecular weight of 194.20 g/mol. Its IUPAC name is (Z)-5,5,5-trifluoro-4-propan-2-yliminopent-2-en-2-amine.

Molecular Properties

Compound Name(Z)-5,5,5-trifluoro-4-propan-2-yliminopent-2-en-2-amine
PubChem CID154519028
Molecular FormulaC8H13F3N2
Molecular Weight194.20 g/mol
Exact Mass194.10
IUPAC Name(Z)-5,5,5-trifluoro-4-propan-2-yliminopent-2-en-2-amine
SMILESC/C(N)=C/C(=N/C(C)C)C(F)(F)F
InChIInChI=1S/C8H13F3N2/c1-5(2)13-7(4-6(3)12)8(9,10)11/h4-5H,12H2,1-3H3/b6-4-,13-7-
InChIKeyYIFIRTJTKLJWQZ-LNPZZTDESA-N
XLogP2.26
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 52.26
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 (Z)-5,5,5-trifluoro-4-propan-2-yliminopent-2-en-2-amine?
The IUPAC name of (Z)-5,5,5-trifluoro-4-propan-2-yliminopent-2-en-2-amine (CID 154519028) is (Z)-5,5,5-trifluoro-4-propan-2-yliminopent-2-en-2-amine.
What is the SMILES notation for (Z)-5,5,5-trifluoro-4-propan-2-yliminopent-2-en-2-amine?
The canonical SMILES for (Z)-5,5,5-trifluoro-4-propan-2-yliminopent-2-en-2-amine is C/C(N)=C/C(=N/C(C)C)C(F)(F)F.
What is the InChIKey of (Z)-5,5,5-trifluoro-4-propan-2-yliminopent-2-en-2-amine?
The InChIKey is YIFIRTJTKLJWQZ-LNPZZTDESA-N. The full InChI is InChI=1S/C8H13F3N2/c1-5(2)13-7(4-6(3)12)8(9,10)11/h4-5H,12H2,1-3H3/b6-4-,13-7-.
What are the key properties of (Z)-5,5,5-trifluoro-4-propan-2-yliminopent-2-en-2-amine?
(Z)-5,5,5-trifluoro-4-propan-2-yliminopent-2-en-2-amine has a molecular weight of 194.20 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5,5,5-trifluoro-4-propan-2-yliminopent-2-en-2-amine is sourced from PubChem (CID 154519028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).