3-fluoro-3-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidine

C7H9F4N — CID 126982233

IUPAC3-fluoro-3-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidine
SMILESC=C(C(F)(F)F)C1(F)CCNC1
InChIInChI=1S/C7H9F4N/c1-5(7(9,10)11)6(8)2-3-12-4-6/h12H,1-4H2
InChIKeyKIGBMMCMWWNAFU-UHFFFAOYSA-N
MW183.15 g/mol
LogP1.81
Rot. Bonds1

About 3-fluoro-3-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidine

3-fluoro-3-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidine (PubChem CID 126982233) has the molecular formula C7H9F4N and a molecular weight of 183.15 g/mol. Its IUPAC name is 3-fluoro-3-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidine.

Molecular Properties

Compound Name3-fluoro-3-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidine
PubChem CID126982233
Molecular FormulaC7H9F4N
Molecular Weight183.15 g/mol
Exact Mass183.07
IUPAC Name3-fluoro-3-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidine
SMILESC=C(C(F)(F)F)C1(F)CCNC1
InChIInChI=1S/C7H9F4N/c1-5(7(9,10)11)6(8)2-3-12-4-6/h12H,1-4H2
InChIKeyKIGBMMCMWWNAFU-UHFFFAOYSA-N
XLogP1.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.15
LogP ≤ 51.81
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 3-fluoro-3-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidine?
The IUPAC name of 3-fluoro-3-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidine (CID 126982233) is 3-fluoro-3-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidine.
What is the SMILES notation for 3-fluoro-3-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidine?
The canonical SMILES for 3-fluoro-3-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidine is C=C(C(F)(F)F)C1(F)CCNC1.
What is the InChIKey of 3-fluoro-3-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidine?
The InChIKey is KIGBMMCMWWNAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F4N/c1-5(7(9,10)11)6(8)2-3-12-4-6/h12H,1-4H2.
What are the key properties of 3-fluoro-3-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidine?
3-fluoro-3-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidine has a molecular weight of 183.15 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidine is sourced from PubChem (CID 126982233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).