(2E)-2-[(5E)-5-prop-2-enylidene-2-(trifluoromethyl)-1H-imidazol-4-ylidene]ethanamine

C9H10F3N3 — CID 162579662

IUPAC(2E)-2-[(5E)-5-prop-2-enylidene-2-(trifluoromethyl)-1H-imidazol-4-ylidene]ethanamine
SMILESC=C/C=c1/[nH]c(C(F)(F)F)n/c1=C/CN
InChIInChI=1S/C9H10F3N3/c1-2-3-6-7(4-5-13)15-8(14-6)9(10,11)12/h2-4H,1,5,13H2,(H,14,15)/b6-3+,7-4+
InChIKeyPNXHQSZGRJRPRX-XOKGJFMYSA-N
MW217.19 g/mol
LogP0.13
Rot. Bonds2

About (2E)-2-[(5E)-5-prop-2-enylidene-2-(trifluoromethyl)-1H-imidazol-4-ylidene]ethanamine

(2E)-2-[(5E)-5-prop-2-enylidene-2-(trifluoromethyl)-1H-imidazol-4-ylidene]ethanamine (PubChem CID 162579662) has the molecular formula C9H10F3N3 and a molecular weight of 217.19 g/mol. Its IUPAC name is (2E)-2-[(5E)-5-prop-2-enylidene-2-(trifluoromethyl)-1H-imidazol-4-ylidene]ethanamine.

Molecular Properties

Compound Name(2E)-2-[(5E)-5-prop-2-enylidene-2-(trifluoromethyl)-1H-imidazol-4-ylidene]ethanamine
PubChem CID162579662
Molecular FormulaC9H10F3N3
Molecular Weight217.19 g/mol
Exact Mass217.08
IUPAC Name(2E)-2-[(5E)-5-prop-2-enylidene-2-(trifluoromethyl)-1H-imidazol-4-ylidene]ethanamine
SMILESC=C/C=c1/[nH]c(C(F)(F)F)n/c1=C/CN
InChIInChI=1S/C9H10F3N3/c1-2-3-6-7(4-5-13)15-8(14-6)9(10,11)12/h2-4H,1,5,13H2,(H,14,15)/b6-3+,7-4+
InChIKeyPNXHQSZGRJRPRX-XOKGJFMYSA-N
XLogP0.13
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(5E)-5-prop-2-enylidene-2-(trifluoromethyl)-1H-imidazol-4-ylidene]ethanamine?
The IUPAC name of (2E)-2-[(5E)-5-prop-2-enylidene-2-(trifluoromethyl)-1H-imidazol-4-ylidene]ethanamine (CID 162579662) is (2E)-2-[(5E)-5-prop-2-enylidene-2-(trifluoromethyl)-1H-imidazol-4-ylidene]ethanamine.
What is the SMILES notation for (2E)-2-[(5E)-5-prop-2-enylidene-2-(trifluoromethyl)-1H-imidazol-4-ylidene]ethanamine?
The canonical SMILES for (2E)-2-[(5E)-5-prop-2-enylidene-2-(trifluoromethyl)-1H-imidazol-4-ylidene]ethanamine is C=C/C=c1/[nH]c(C(F)(F)F)n/c1=C/CN.
What is the InChIKey of (2E)-2-[(5E)-5-prop-2-enylidene-2-(trifluoromethyl)-1H-imidazol-4-ylidene]ethanamine?
The InChIKey is PNXHQSZGRJRPRX-XOKGJFMYSA-N. The full InChI is InChI=1S/C9H10F3N3/c1-2-3-6-7(4-5-13)15-8(14-6)9(10,11)12/h2-4H,1,5,13H2,(H,14,15)/b6-3+,7-4+.
What are the key properties of (2E)-2-[(5E)-5-prop-2-enylidene-2-(trifluoromethyl)-1H-imidazol-4-ylidene]ethanamine?
(2E)-2-[(5E)-5-prop-2-enylidene-2-(trifluoromethyl)-1H-imidazol-4-ylidene]ethanamine has a molecular weight of 217.19 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(5E)-5-prop-2-enylidene-2-(trifluoromethyl)-1H-imidazol-4-ylidene]ethanamine is sourced from PubChem (CID 162579662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).