4,4,4-trifluoro-3-iminobut-1-en-1-amine

C4H5F3N2 — CID 162535113

IUPAC4,4,4-trifluoro-3-iminobut-1-en-1-amine
SMILES[H]/N=C(\C=CN)C(F)(F)F
InChIInChI=1S/C4H5F3N2/c5-4(6,7)3(9)1-2-8/h1-2,9H,8H2/b2-1?,9-3+
InChIKeyRAVVNNRTXMEJPB-AQQUKUKPSA-N
MW138.09 g/mol
LogP1.04
Rot. Bonds1

About 4,4,4-trifluoro-3-iminobut-1-en-1-amine

4,4,4-trifluoro-3-iminobut-1-en-1-amine (PubChem CID 162535113) has the molecular formula C4H5F3N2 and a molecular weight of 138.09 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-iminobut-1-en-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-3-iminobut-1-en-1-amine
PubChem CID162535113
Molecular FormulaC4H5F3N2
Molecular Weight138.09 g/mol
Exact Mass138.04
IUPAC Name4,4,4-trifluoro-3-iminobut-1-en-1-amine
SMILES[H]/N=C(\C=CN)C(F)(F)F
InChIInChI=1S/C4H5F3N2/c5-4(6,7)3(9)1-2-8/h1-2,9H,8H2/b2-1?,9-3+
InChIKeyRAVVNNRTXMEJPB-AQQUKUKPSA-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

2-[(Z)-4,4-difluorobut-1-enyl]iminobut-3-en-1-amine
CID 132157969
N-[(E)-1,1,1-trifluorobut-3-en-2-ylideneamino]ethenamine
CID 138514240
(Z)-4,4,4-trifluoro-3-prop-1-en-2-yliminobut-1-en-1-amine
CID 138628399
ethyl-[(Z)-4,4,4-trifluoro-3-iminobut-1-enyl]azanium
CID 142308476
3-(trifluoromethyl)-1H-pyrazol-1-ium
CID 143235174
(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
(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
(Z)-N,4,4,4-tetrafluoro-3-imino-N-methylbut-1-en-1-amine
CID 171799213
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 4,4,4-trifluoro-3-iminobut-1-en-1-amine?
The IUPAC name of 4,4,4-trifluoro-3-iminobut-1-en-1-amine (CID 162535113) is 4,4,4-trifluoro-3-iminobut-1-en-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-3-iminobut-1-en-1-amine?
The canonical SMILES for 4,4,4-trifluoro-3-iminobut-1-en-1-amine is [H]/N=C(\C=CN)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-iminobut-1-en-1-amine?
The InChIKey is RAVVNNRTXMEJPB-AQQUKUKPSA-N. The full InChI is InChI=1S/C4H5F3N2/c5-4(6,7)3(9)1-2-8/h1-2,9H,8H2/b2-1?,9-3+.
What are the key properties of 4,4,4-trifluoro-3-iminobut-1-en-1-amine?
4,4,4-trifluoro-3-iminobut-1-en-1-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 4,4,4-trifluoro-3-iminobut-1-en-1-amine is sourced from PubChem (CID 162535113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).