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

C6H11F3N2 — CID 162431356

IUPACethane;(Z)-1,1,1-trifluoro-4-iminobut-2-en-2-amine
SMILESCC.[H]/N=C/C=C(\N)C(F)(F)F
InChIInChI=1S/C4H5F3N2.C2H6/c5-4(6,7)3(9)1-2-8;1-2/h1-2,8H,9H2;1-2H3/b3-1-,8-2+;
InChIKeyZUSRWYYQBQUHBT-SWBDCZCJSA-N
MW168.16 g/mol
LogP2.07
Rot. Bonds1

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

ethane;(Z)-1,1,1-trifluoro-4-iminobut-2-en-2-amine (PubChem CID 162431356) has the molecular formula C6H11F3N2 and a molecular weight of 168.16 g/mol. Its IUPAC name is ethane;(Z)-1,1,1-trifluoro-4-iminobut-2-en-2-amine.

Molecular Properties

Compound Nameethane;(Z)-1,1,1-trifluoro-4-iminobut-2-en-2-amine
PubChem CID162431356
Molecular FormulaC6H11F3N2
Molecular Weight168.16 g/mol
Exact Mass168.09
IUPAC Nameethane;(Z)-1,1,1-trifluoro-4-iminobut-2-en-2-amine
SMILESCC.[H]/N=C/C=C(\N)C(F)(F)F
InChIInChI=1S/C4H5F3N2.C2H6/c5-4(6,7)3(9)1-2-8;1-2/h1-2,8H,9H2;1-2H3/b3-1-,8-2+;
InChIKeyZUSRWYYQBQUHBT-SWBDCZCJSA-N
XLogP2.07
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 52.07
H-Bond Donors ≤ 52
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 ethane;(Z)-1,1,1-trifluoro-4-iminobut-2-en-2-amine?
The IUPAC name of ethane;(Z)-1,1,1-trifluoro-4-iminobut-2-en-2-amine (CID 162431356) is ethane;(Z)-1,1,1-trifluoro-4-iminobut-2-en-2-amine.
What is the SMILES notation for ethane;(Z)-1,1,1-trifluoro-4-iminobut-2-en-2-amine?
The canonical SMILES for ethane;(Z)-1,1,1-trifluoro-4-iminobut-2-en-2-amine is CC.[H]/N=C/C=C(\N)C(F)(F)F.
What is the InChIKey of ethane;(Z)-1,1,1-trifluoro-4-iminobut-2-en-2-amine?
The InChIKey is ZUSRWYYQBQUHBT-SWBDCZCJSA-N. The full InChI is InChI=1S/C4H5F3N2.C2H6/c5-4(6,7)3(9)1-2-8;1-2/h1-2,8H,9H2;1-2H3/b3-1-,8-2+;.
What are the key properties of ethane;(Z)-1,1,1-trifluoro-4-iminobut-2-en-2-amine?
ethane;(Z)-1,1,1-trifluoro-4-iminobut-2-en-2-amine has a molecular weight of 168.16 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-1,1,1-trifluoro-4-iminobut-2-en-2-amine is sourced from PubChem (CID 162431356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).