(Z)-1,1,1-trifluoro-4-iminobut-2-en-2-amine

C4H5F3N2 — CID 88936986

IUPAC(Z)-1,1,1-trifluoro-4-iminobut-2-en-2-amine
SMILES[H]/N=C/C=C(\N)C(F)(F)F
InChIInChI=1S/C4H5F3N2/c5-4(6,7)3(9)1-2-8/h1-2,8H,9H2/b3-1-,8-2+
InChIKeyWFLHAYPDPLTRJG-UEAKZQPUSA-N
MW138.09 g/mol
LogP1.04
Rot. Bonds1

About (Z)-1,1,1-trifluoro-4-iminobut-2-en-2-amine

(Z)-1,1,1-trifluoro-4-iminobut-2-en-2-amine (PubChem CID 88936986) has the molecular formula C4H5F3N2 and a molecular weight of 138.09 g/mol. Its IUPAC name is (Z)-1,1,1-trifluoro-4-iminobut-2-en-2-amine.

Molecular Properties

Compound Name(Z)-1,1,1-trifluoro-4-iminobut-2-en-2-amine
PubChem CID88936986
Molecular FormulaC4H5F3N2
Molecular Weight138.09 g/mol
Exact Mass138.04
IUPAC Name(Z)-1,1,1-trifluoro-4-iminobut-2-en-2-amine
SMILES[H]/N=C/C=C(\N)C(F)(F)F
InChIInChI=1S/C4H5F3N2/c5-4(6,7)3(9)1-2-8/h1-2,8H,9H2/b3-1-,8-2+
InChIKeyWFLHAYPDPLTRJG-UEAKZQPUSA-N
XLogP1.04
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.09
LogP ≤ 51.04
H-Bond Donors ≤ 52
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-trifluoro-4-methyliminobut-2-en-2-amine
CID 88232102
(Z)-4-ethylimino-1,1,1-trifluorobut-2-en-2-amine
CID 134382222
4-Ethylimino-1,1,1-trifluorobut-2-en-2-amine
CID 142308477
(E)-4-(3,3,3-trifluoroprop-1-en-2-ylimino)but-2-en-2-amine
CID 143245790
1,1-Difluoro-4-methyliminobut-2-en-2-amine
CID 146689609
1,1,1-Trifluoro-4-methyliminobut-2-en-2-amine
CID 147541795
1,1,1-Trifluoro-4-iminobut-2-en-2-amine
CID 149125687
1,1,1-Trifluoro-4-hydrazinylidenebut-2-en-2-amine
CID 149218968
4-(2,2,2-Trifluoroethylimino)but-2-en-2-amine
CID 149412864
4-(Difluoromethylimino)but-2-en-2-amine
CID 154561749
(Z)-1,1,1-trifluoro-4-propan-2-yliminobut-2-en-2-amine
CID 154979731
ethane;(Z)-1,1,1-trifluoro-4-iminobut-2-en-2-amine
CID 162431356

Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1-trifluoro-4-iminobut-2-en-2-amine?
The IUPAC name of (Z)-1,1,1-trifluoro-4-iminobut-2-en-2-amine (CID 88936986) is (Z)-1,1,1-trifluoro-4-iminobut-2-en-2-amine.
What is the SMILES notation for (Z)-1,1,1-trifluoro-4-iminobut-2-en-2-amine?
The canonical SMILES for (Z)-1,1,1-trifluoro-4-iminobut-2-en-2-amine is [H]/N=C/C=C(\N)C(F)(F)F.
What is the InChIKey of (Z)-1,1,1-trifluoro-4-iminobut-2-en-2-amine?
The InChIKey is WFLHAYPDPLTRJG-UEAKZQPUSA-N. The full InChI is InChI=1S/C4H5F3N2/c5-4(6,7)3(9)1-2-8/h1-2,8H,9H2/b3-1-,8-2+.
What are the key properties of (Z)-1,1,1-trifluoro-4-iminobut-2-en-2-amine?
(Z)-1,1,1-trifluoro-4-iminobut-2-en-2-amine has a molecular weight of 138.09 g/mol, XLogP of 1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1-trifluoro-4-iminobut-2-en-2-amine is sourced from PubChem (CID 88936986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).