1-(1,1,2-trifluoroprop-2-enyl)pyrrolidine

C7H10F3N — CID 129207502

IUPAC1-(1,1,2-trifluoroprop-2-enyl)pyrrolidine
SMILESC=C(F)C(F)(F)N1CCCC1
InChIInChI=1S/C7H10F3N/c1-6(8)7(9,10)11-4-2-3-5-11/h1-5H2
InChIKeyHNBQUXUTACGXCJ-UHFFFAOYSA-N
MW165.16 g/mol
LogP2.16
Rot. Bonds2

About 1-(1,1,2-trifluoroprop-2-enyl)pyrrolidine

1-(1,1,2-trifluoroprop-2-enyl)pyrrolidine (PubChem CID 129207502) has the molecular formula C7H10F3N and a molecular weight of 165.16 g/mol. Its IUPAC name is 1-(1,1,2-trifluoroprop-2-enyl)pyrrolidine.

Molecular Properties

Compound Name1-(1,1,2-trifluoroprop-2-enyl)pyrrolidine
PubChem CID129207502
Molecular FormulaC7H10F3N
Molecular Weight165.16 g/mol
Exact Mass165.08
IUPAC Name1-(1,1,2-trifluoroprop-2-enyl)pyrrolidine
SMILESC=C(F)C(F)(F)N1CCCC1
InChIInChI=1S/C7H10F3N/c1-6(8)7(9,10)11-4-2-3-5-11/h1-5H2
InChIKeyHNBQUXUTACGXCJ-UHFFFAOYSA-N
XLogP2.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-(2,2,2-Trifluoroethyl)pyrrolidine
CID 21810045
Trifluoromethylpyrrolidine
CID 22011299
1-(3,3,3-Trifluoroprop-1-en-2-yl)pyrrolidine
CID 85743976
1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]pyrrolidine
CID 13864934
3,3,4,4-Tetrafluoro-1-prop-2-enylpyrrolidine
CID 58361966
1-(Difluoromethyl)pyrrolidine
CID 68643674
1-(2,2,3-Trifluoropropyl)pyrrolidine
CID 69399425
1-(3,3,3-Trifluoropropyl)pyrrolidine
CID 69399429
1-(2,3,3-Trifluoropropyl)pyrrolidine
CID 69399431
1-(1,1,2-Trifluoroethyl)pyrrolidine
CID 69400976
1-(1,2,2-Trifluoroethyl)pyrrolidine
CID 69400979
1-(1,2,2-Trifluoroethenyl)pyrrolidine
CID 85576838

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2-trifluoroprop-2-enyl)pyrrolidine?
The IUPAC name of 1-(1,1,2-trifluoroprop-2-enyl)pyrrolidine (CID 129207502) is 1-(1,1,2-trifluoroprop-2-enyl)pyrrolidine.
What is the SMILES notation for 1-(1,1,2-trifluoroprop-2-enyl)pyrrolidine?
The canonical SMILES for 1-(1,1,2-trifluoroprop-2-enyl)pyrrolidine is C=C(F)C(F)(F)N1CCCC1.
What is the InChIKey of 1-(1,1,2-trifluoroprop-2-enyl)pyrrolidine?
The InChIKey is HNBQUXUTACGXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N/c1-6(8)7(9,10)11-4-2-3-5-11/h1-5H2.
What are the key properties of 1-(1,1,2-trifluoroprop-2-enyl)pyrrolidine?
1-(1,1,2-trifluoroprop-2-enyl)pyrrolidine has a molecular weight of 165.16 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2-trifluoroprop-2-enyl)pyrrolidine is sourced from PubChem (CID 129207502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).