1-prop-2-enyl-3-(trifluoromethyl)pyrrolidine

C8H12F3N — CID 131065008

IUPAC1-prop-2-enyl-3-(trifluoromethyl)pyrrolidine
SMILESC=CCN1CCC(C(F)(F)F)C1
InChIInChI=1S/C8H12F3N/c1-2-4-12-5-3-7(6-12)8(9,10)11/h2,7H,1,3-6H2
InChIKeyLHYTVKSKCFFDEN-UHFFFAOYSA-N
MW179.18 g/mol
LogP2.06
Rot. Bonds2

About 1-prop-2-enyl-3-(trifluoromethyl)pyrrolidine

1-prop-2-enyl-3-(trifluoromethyl)pyrrolidine (PubChem CID 131065008) has the molecular formula C8H12F3N and a molecular weight of 179.18 g/mol. Its IUPAC name is 1-prop-2-enyl-3-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name1-prop-2-enyl-3-(trifluoromethyl)pyrrolidine
PubChem CID131065008
Molecular FormulaC8H12F3N
Molecular Weight179.18 g/mol
Exact Mass179.09
IUPAC Name1-prop-2-enyl-3-(trifluoromethyl)pyrrolidine
SMILESC=CCN1CCC(C(F)(F)F)C1
InChIInChI=1S/C8H12F3N/c1-2-4-12-5-3-7(6-12)8(9,10)11/h2,7H,1,3-6H2
InChIKeyLHYTVKSKCFFDEN-UHFFFAOYSA-N
XLogP2.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-3-(trifluoromethyl)pyrrolidine?
The IUPAC name of 1-prop-2-enyl-3-(trifluoromethyl)pyrrolidine (CID 131065008) is 1-prop-2-enyl-3-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for 1-prop-2-enyl-3-(trifluoromethyl)pyrrolidine?
The canonical SMILES for 1-prop-2-enyl-3-(trifluoromethyl)pyrrolidine is C=CCN1CCC(C(F)(F)F)C1.
What is the InChIKey of 1-prop-2-enyl-3-(trifluoromethyl)pyrrolidine?
The InChIKey is LHYTVKSKCFFDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N/c1-2-4-12-5-3-7(6-12)8(9,10)11/h2,7H,1,3-6H2.
What are the key properties of 1-prop-2-enyl-3-(trifluoromethyl)pyrrolidine?
1-prop-2-enyl-3-(trifluoromethyl)pyrrolidine has a molecular weight of 179.18 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-3-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 131065008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).