(2E)-2-prop-2-enylidene-4-(trifluoromethyl)-1,3-dihydropyrrole

C8H8F3N — CID 167080778

IUPAC(2E)-2-prop-2-enylidene-4-(trifluoromethyl)-1,3-dihydropyrrole
SMILESC=C/C=C1\CC(C(F)(F)F)=CN1
InChIInChI=1S/C8H8F3N/c1-2-3-7-4-6(5-12-7)8(9,10)11/h2-3,5,12H,1,4H2/b7-3+
InChIKeyKLAHMVPBVIIZOD-XVNBXDOJSA-N
MW175.15 g/mol
LogP2.50
Rot. Bonds1

About (2E)-2-prop-2-enylidene-4-(trifluoromethyl)-1,3-dihydropyrrole

(2E)-2-prop-2-enylidene-4-(trifluoromethyl)-1,3-dihydropyrrole (PubChem CID 167080778) has the molecular formula C8H8F3N and a molecular weight of 175.15 g/mol. Its IUPAC name is (2E)-2-prop-2-enylidene-4-(trifluoromethyl)-1,3-dihydropyrrole.

Molecular Properties

Compound Name(2E)-2-prop-2-enylidene-4-(trifluoromethyl)-1,3-dihydropyrrole
PubChem CID167080778
Molecular FormulaC8H8F3N
Molecular Weight175.15 g/mol
Exact Mass175.06
IUPAC Name(2E)-2-prop-2-enylidene-4-(trifluoromethyl)-1,3-dihydropyrrole
SMILESC=C/C=C1\CC(C(F)(F)F)=CN1
InChIInChI=1S/C8H8F3N/c1-2-3-7-4-6(5-12-7)8(9,10)11/h2-3,5,12H,1,4H2/b7-3+
InChIKeyKLAHMVPBVIIZOD-XVNBXDOJSA-N
XLogP2.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.15
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-prop-2-enylidene-4-(trifluoromethyl)-1,3-dihydropyrrole?
The IUPAC name of (2E)-2-prop-2-enylidene-4-(trifluoromethyl)-1,3-dihydropyrrole (CID 167080778) is (2E)-2-prop-2-enylidene-4-(trifluoromethyl)-1,3-dihydropyrrole.
What is the SMILES notation for (2E)-2-prop-2-enylidene-4-(trifluoromethyl)-1,3-dihydropyrrole?
The canonical SMILES for (2E)-2-prop-2-enylidene-4-(trifluoromethyl)-1,3-dihydropyrrole is C=C/C=C1\CC(C(F)(F)F)=CN1.
What is the InChIKey of (2E)-2-prop-2-enylidene-4-(trifluoromethyl)-1,3-dihydropyrrole?
The InChIKey is KLAHMVPBVIIZOD-XVNBXDOJSA-N. The full InChI is InChI=1S/C8H8F3N/c1-2-3-7-4-6(5-12-7)8(9,10)11/h2-3,5,12H,1,4H2/b7-3+.
What are the key properties of (2E)-2-prop-2-enylidene-4-(trifluoromethyl)-1,3-dihydropyrrole?
(2E)-2-prop-2-enylidene-4-(trifluoromethyl)-1,3-dihydropyrrole has a molecular weight of 175.15 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-prop-2-enylidene-4-(trifluoromethyl)-1,3-dihydropyrrole is sourced from PubChem (CID 167080778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).