(Z)-4,4,4-trifluoro-1-(furan-2-yl)-3-iminobut-1-en-1-amine

C8H7F3N2O — CID 162584999

IUPAC(Z)-4,4,4-trifluoro-1-(furan-2-yl)-3-iminobut-1-en-1-amine
SMILES[H]/N=C(/C=C(\N)c1ccco1)C(F)(F)F
InChIInChI=1S/C8H7F3N2O/c9-8(10,11)7(13)4-5(12)6-2-1-3-14-6/h1-4,13H,12H2/b5-4-,13-7-
InChIKeyGYYCHWSUPSDINV-HJQJRMHTSA-N
MW204.15 g/mol
LogP2.16
Rot. Bonds2

About (Z)-4,4,4-trifluoro-1-(furan-2-yl)-3-iminobut-1-en-1-amine

(Z)-4,4,4-trifluoro-1-(furan-2-yl)-3-iminobut-1-en-1-amine (PubChem CID 162584999) has the molecular formula C8H7F3N2O and a molecular weight of 204.15 g/mol. Its IUPAC name is (Z)-4,4,4-trifluoro-1-(furan-2-yl)-3-iminobut-1-en-1-amine.

Molecular Properties

Compound Name(Z)-4,4,4-trifluoro-1-(furan-2-yl)-3-iminobut-1-en-1-amine
PubChem CID162584999
Molecular FormulaC8H7F3N2O
Molecular Weight204.15 g/mol
Exact Mass204.05
IUPAC Name(Z)-4,4,4-trifluoro-1-(furan-2-yl)-3-iminobut-1-en-1-amine
SMILES[H]/N=C(/C=C(\N)c1ccco1)C(F)(F)F
InChIInChI=1S/C8H7F3N2O/c9-8(10,11)7(13)4-5(12)6-2-1-3-14-6/h1-4,13H,12H2/b5-4-,13-7-
InChIKeyGYYCHWSUPSDINV-HJQJRMHTSA-N
XLogP2.16
TPSA63.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (Z)-4,4,4-trifluoro-1-(furan-2-yl)-3-iminobut-1-en-1-amine with MolForge

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Related Compounds

furan-2-carboximidamide;2,2,2-trifluoroacetic acid
CID 157143973
4,4,4-trifluoro-1-(furan-2-yl)-3-iminobutan-1-one
CID 170314111
(1E,3Z)-1-chloro-4-(furan-2-yl)buta-1,3-diene-1,4-diamine
CID 178014645
3-amino-3-(furan-2-yl)prop-2-enenitrile
CID 69283548
(furan-2-carbonylamino) 2,2,2-trifluoroacetate
CID 141040971
(NZ)-N-[2,2,2-trifluoro-1-(furan-2-yl)ethylidene]hydroxylamine
CID 11298289
2-(furan-2-yl)-2-iminoacetic acid
CID 141219188
(Z)-4,4,5,5,5-pentafluoro-3-imino-1-pyridin-2-ylpent-1-en-1-amine
CID 163705086
4,4,5,5,5-pentafluoro-1-(furan-2-yl)-1-hydroxypent-1-en-3-one
CID 74687556
(2,2,2-trifluoroacetyl) furan-2-carboxylate
CID 91700684
ruthenium(3+);tris(4,4,4-trifluoro-1-(furan-2-yl)butane-1,3-dione)
CID 11979475
CID 131873391
CID 131873391

Frequently Asked Questions

What is the IUPAC name of (Z)-4,4,4-trifluoro-1-(furan-2-yl)-3-iminobut-1-en-1-amine?
The IUPAC name of (Z)-4,4,4-trifluoro-1-(furan-2-yl)-3-iminobut-1-en-1-amine (CID 162584999) is (Z)-4,4,4-trifluoro-1-(furan-2-yl)-3-iminobut-1-en-1-amine.
What is the SMILES notation for (Z)-4,4,4-trifluoro-1-(furan-2-yl)-3-iminobut-1-en-1-amine?
The canonical SMILES for (Z)-4,4,4-trifluoro-1-(furan-2-yl)-3-iminobut-1-en-1-amine is [H]/N=C(/C=C(\N)c1ccco1)C(F)(F)F.
What is the InChIKey of (Z)-4,4,4-trifluoro-1-(furan-2-yl)-3-iminobut-1-en-1-amine?
The InChIKey is GYYCHWSUPSDINV-HJQJRMHTSA-N. The full InChI is InChI=1S/C8H7F3N2O/c9-8(10,11)7(13)4-5(12)6-2-1-3-14-6/h1-4,13H,12H2/b5-4-,13-7-.
What are the key properties of (Z)-4,4,4-trifluoro-1-(furan-2-yl)-3-iminobut-1-en-1-amine?
(Z)-4,4,4-trifluoro-1-(furan-2-yl)-3-iminobut-1-en-1-amine has a molecular weight of 204.15 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,4,4-trifluoro-1-(furan-2-yl)-3-iminobut-1-en-1-amine is sourced from PubChem (CID 162584999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).