(Z)-3-(2,2,2-trifluoroethylimino)-2-[4-(trifluoromethyl)-1H-pyrazol-5-yl]prop-1-en-1-amine

C9H8F6N4 — CID 170639627

IUPAC(Z)-3-(2,2,2-trifluoroethylimino)-2-[4-(trifluoromethyl)-1H-pyrazol-5-yl]prop-1-en-1-amine
SMILESN/C=C(\C=N\CC(F)(F)F)c1[nH]ncc1C(F)(F)F
InChIInChI=1S/C9H8F6N4/c10-8(11,12)4-17-2-5(1-16)7-6(3-18-19-7)9(13,14)15/h1-3H,4,16H2,(H,18,19)/b5-1+,17-2+
InChIKeyXUVCVOUBSOUMGB-NSGFBTQZSA-N
MW286.18 g/mol
LogP2.36
Rot. Bonds3

About (Z)-3-(2,2,2-trifluoroethylimino)-2-[4-(trifluoromethyl)-1H-pyrazol-5-yl]prop-1-en-1-amine

(Z)-3-(2,2,2-trifluoroethylimino)-2-[4-(trifluoromethyl)-1H-pyrazol-5-yl]prop-1-en-1-amine (PubChem CID 170639627) has the molecular formula C9H8F6N4 and a molecular weight of 286.18 g/mol. Its IUPAC name is (Z)-3-(2,2,2-trifluoroethylimino)-2-[4-(trifluoromethyl)-1H-pyrazol-5-yl]prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-(2,2,2-trifluoroethylimino)-2-[4-(trifluoromethyl)-1H-pyrazol-5-yl]prop-1-en-1-amine
PubChem CID170639627
Molecular FormulaC9H8F6N4
Molecular Weight286.18 g/mol
Exact Mass286.07
IUPAC Name(Z)-3-(2,2,2-trifluoroethylimino)-2-[4-(trifluoromethyl)-1H-pyrazol-5-yl]prop-1-en-1-amine
SMILESN/C=C(\C=N\CC(F)(F)F)c1[nH]ncc1C(F)(F)F
InChIInChI=1S/C9H8F6N4/c10-8(11,12)4-17-2-5(1-16)7-6(3-18-19-7)9(13,14)15/h1-3H,4,16H2,(H,18,19)/b5-1+,17-2+
InChIKeyXUVCVOUBSOUMGB-NSGFBTQZSA-N
XLogP2.36
TPSA67.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.18
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)-3-(2,2,2-trifluoroethylimino)-2-[4-(trifluoromethyl)-1H-pyrazol-5-yl]prop-1-en-1-amine?
The IUPAC name of (Z)-3-(2,2,2-trifluoroethylimino)-2-[4-(trifluoromethyl)-1H-pyrazol-5-yl]prop-1-en-1-amine (CID 170639627) is (Z)-3-(2,2,2-trifluoroethylimino)-2-[4-(trifluoromethyl)-1H-pyrazol-5-yl]prop-1-en-1-amine.
What is the SMILES notation for (Z)-3-(2,2,2-trifluoroethylimino)-2-[4-(trifluoromethyl)-1H-pyrazol-5-yl]prop-1-en-1-amine?
The canonical SMILES for (Z)-3-(2,2,2-trifluoroethylimino)-2-[4-(trifluoromethyl)-1H-pyrazol-5-yl]prop-1-en-1-amine is N/C=C(\C=N\CC(F)(F)F)c1[nH]ncc1C(F)(F)F.
What is the InChIKey of (Z)-3-(2,2,2-trifluoroethylimino)-2-[4-(trifluoromethyl)-1H-pyrazol-5-yl]prop-1-en-1-amine?
The InChIKey is XUVCVOUBSOUMGB-NSGFBTQZSA-N. The full InChI is InChI=1S/C9H8F6N4/c10-8(11,12)4-17-2-5(1-16)7-6(3-18-19-7)9(13,14)15/h1-3H,4,16H2,(H,18,19)/b5-1+,17-2+.
What are the key properties of (Z)-3-(2,2,2-trifluoroethylimino)-2-[4-(trifluoromethyl)-1H-pyrazol-5-yl]prop-1-en-1-amine?
(Z)-3-(2,2,2-trifluoroethylimino)-2-[4-(trifluoromethyl)-1H-pyrazol-5-yl]prop-1-en-1-amine has a molecular weight of 286.18 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2,2,2-trifluoroethylimino)-2-[4-(trifluoromethyl)-1H-pyrazol-5-yl]prop-1-en-1-amine is sourced from PubChem (CID 170639627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).