(3E)-3-(2,2,2-trifluoroethylidene)pyrrolidine

C6H8F3N — CID 155160950

IUPAC(3E)-3-(2,2,2-trifluoroethylidene)pyrrolidine
SMILESFC(F)(F)/C=C1\CCNC1
InChIInChI=1S/C6H8F3N/c7-6(8,9)3-5-1-2-10-4-5/h3,10H,1-2,4H2/b5-3+
InChIKeySUZNDOIOKXANMX-HWKANZROSA-N
MW151.13 g/mol
LogP1.47
Rot. Bonds

About (3E)-3-(2,2,2-trifluoroethylidene)pyrrolidine

(3E)-3-(2,2,2-trifluoroethylidene)pyrrolidine (PubChem CID 155160950) has the molecular formula C6H8F3N and a molecular weight of 151.13 g/mol. Its IUPAC name is (3E)-3-(2,2,2-trifluoroethylidene)pyrrolidine.

Molecular Properties

Compound Name(3E)-3-(2,2,2-trifluoroethylidene)pyrrolidine
PubChem CID155160950
Molecular FormulaC6H8F3N
Molecular Weight151.13 g/mol
Exact Mass151.06
IUPAC Name(3E)-3-(2,2,2-trifluoroethylidene)pyrrolidine
SMILESFC(F)(F)/C=C1\CCNC1
InChIInChI=1S/C6H8F3N/c7-6(8,9)3-5-1-2-10-4-5/h3,10H,1-2,4H2/b5-3+
InChIKeySUZNDOIOKXANMX-HWKANZROSA-N
XLogP1.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.13
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(Trifluoromethyl)-1,2,3,6-tetrahydropyridine hydrochloride
CID 45933625
3-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole hydrochloride
CID 155144947
3-Propylidenepyrrolidine
CID 79875565
4-(Trifluoromethyl)-1,2,3,6-tetrahydropyridine
CID 26985655
(3E,4Z)-3-ethylidene-4-(1-fluoroethylidene)pyrrolidine
CID 88957760
3-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole
CID 117205482
4-Methyl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine
CID 118357415
3-Fluoro-4-methylidenepyrrolidine
CID 123961396
(3E)-3-(fluoromethylidene)pyrrolidine
CID 126638464
(3R)-3-fluoro-4-methylidenepyrrolidine
CID 130322624
5-(Trifluoromethyl)-1,2,3,6-tetrahydropyridine
CID 131587634
(3E)-3-[(Z)-4-fluorobut-2-enylidene]-4-methylidenepyrrolidine
CID 143823865

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(2,2,2-trifluoroethylidene)pyrrolidine?
The IUPAC name of (3E)-3-(2,2,2-trifluoroethylidene)pyrrolidine (CID 155160950) is (3E)-3-(2,2,2-trifluoroethylidene)pyrrolidine.
What is the SMILES notation for (3E)-3-(2,2,2-trifluoroethylidene)pyrrolidine?
The canonical SMILES for (3E)-3-(2,2,2-trifluoroethylidene)pyrrolidine is FC(F)(F)/C=C1\CCNC1.
What is the InChIKey of (3E)-3-(2,2,2-trifluoroethylidene)pyrrolidine?
The InChIKey is SUZNDOIOKXANMX-HWKANZROSA-N. The full InChI is InChI=1S/C6H8F3N/c7-6(8,9)3-5-1-2-10-4-5/h3,10H,1-2,4H2/b5-3+.
What are the key properties of (3E)-3-(2,2,2-trifluoroethylidene)pyrrolidine?
(3E)-3-(2,2,2-trifluoroethylidene)pyrrolidine has a molecular weight of 151.13 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(2,2,2-trifluoroethylidene)pyrrolidine is sourced from PubChem (CID 155160950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).