(3Z)-3-(4,4,4-trifluorobutylidene)pyrrolidine

C8H12F3N — CID 115519755

IUPAC(3Z)-3-(4,4,4-trifluorobutylidene)pyrrolidine
SMILESFC(F)(F)CC/C=C1/CCNC1
InChIInChI=1S/C8H12F3N/c9-8(10,11)4-1-2-7-3-5-12-6-7/h2,12H,1,3-6H2/b7-2-
InChIKeyPICMVCDCCJOVHI-UQCOIBPSSA-N
MW179.18 g/mol
LogP2.25
Rot. Bonds2

About (3Z)-3-(4,4,4-trifluorobutylidene)pyrrolidine

(3Z)-3-(4,4,4-trifluorobutylidene)pyrrolidine (PubChem CID 115519755) has the molecular formula C8H12F3N and a molecular weight of 179.18 g/mol. Its IUPAC name is (3Z)-3-(4,4,4-trifluorobutylidene)pyrrolidine.

Molecular Properties

Compound Name(3Z)-3-(4,4,4-trifluorobutylidene)pyrrolidine
PubChem CID115519755
Molecular FormulaC8H12F3N
Molecular Weight179.18 g/mol
Exact Mass179.09
IUPAC Name(3Z)-3-(4,4,4-trifluorobutylidene)pyrrolidine
SMILESFC(F)(F)CC/C=C1/CCNC1
InChIInChI=1S/C8H12F3N/c9-8(10,11)4-1-2-7-3-5-12-6-7/h2,12H,1,3-6H2/b7-2-
InChIKeyPICMVCDCCJOVHI-UQCOIBPSSA-N
XLogP2.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 52.25
H-Bond Donors ≤ 51
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 (3Z)-3-(4,4,4-trifluorobutylidene)pyrrolidine?
The IUPAC name of (3Z)-3-(4,4,4-trifluorobutylidene)pyrrolidine (CID 115519755) is (3Z)-3-(4,4,4-trifluorobutylidene)pyrrolidine.
What is the SMILES notation for (3Z)-3-(4,4,4-trifluorobutylidene)pyrrolidine?
The canonical SMILES for (3Z)-3-(4,4,4-trifluorobutylidene)pyrrolidine is FC(F)(F)CC/C=C1/CCNC1.
What is the InChIKey of (3Z)-3-(4,4,4-trifluorobutylidene)pyrrolidine?
The InChIKey is PICMVCDCCJOVHI-UQCOIBPSSA-N. The full InChI is InChI=1S/C8H12F3N/c9-8(10,11)4-1-2-7-3-5-12-6-7/h2,12H,1,3-6H2/b7-2-.
What are the key properties of (3Z)-3-(4,4,4-trifluorobutylidene)pyrrolidine?
(3Z)-3-(4,4,4-trifluorobutylidene)pyrrolidine has a molecular weight of 179.18 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(4,4,4-trifluorobutylidene)pyrrolidine is sourced from PubChem (CID 115519755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).