1-[(E)-4,4,4-trifluorobut-2-en-2-yl]pyrrolidine

C8H12F3N — CID 129271802

IUPAC1-[(E)-4,4,4-trifluorobut-2-en-2-yl]pyrrolidine
SMILESC/C(=C\C(F)(F)F)N1CCCC1
InChIInChI=1S/C8H12F3N/c1-7(6-8(9,10)11)12-4-2-3-5-12/h6H,2-5H2,1H3/b7-6+
InChIKeyKFHGOHGDSFGOOU-VOTSOKGWSA-N
MW179.19 g/mol
LogP2.55
Rot. Bonds1

About 1-[(E)-4,4,4-trifluorobut-2-en-2-yl]pyrrolidine

1-[(E)-4,4,4-trifluorobut-2-en-2-yl]pyrrolidine (PubChem CID 129271802) has the molecular formula C8H12F3N and a molecular weight of 179.19 g/mol. Its IUPAC name is 1-[(E)-4,4,4-trifluorobut-2-en-2-yl]pyrrolidine.

Molecular Properties

Compound Name1-[(E)-4,4,4-trifluorobut-2-en-2-yl]pyrrolidine
PubChem CID129271802
Molecular FormulaC8H12F3N
Molecular Weight179.19 g/mol
Exact Mass179.09
IUPAC Name1-[(E)-4,4,4-trifluorobut-2-en-2-yl]pyrrolidine
SMILESC/C(=C\C(F)(F)F)N1CCCC1
InChIInChI=1S/C8H12F3N/c1-7(6-8(9,10)11)12-4-2-3-5-12/h6H,2-5H2,1H3/b7-6+
InChIKeyKFHGOHGDSFGOOU-VOTSOKGWSA-N
XLogP2.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,3,3-Trifluoroprop-1-en-2-yl)pyrrolidine
CID 85743976
1-[(E)-but-2-en-2-yl]pyrrolidine
CID 12571419
1-(But-2-en-2-yl)pyrrolidine
CID 68009843
(2E)-2-ethylidene-4,4-difluoro-1-methylpyrrolidine
CID 89209700
3,3-Difluoro-1-prop-1-en-2-ylpyrrolidine
CID 143542129
4,4-Difluoro-1-methyl-2-methylidenepyrrolidine
CID 146609473
1-Prop-1-en-2-yl-2-(trifluoromethyl)pyrrolidine
CID 164168515
1-[(Z)-but-2-en-2-yl]-3-(trifluoromethyl)pyrrolidine
CID 165128792
(3R)-3-fluoro-1-prop-1-en-2-ylpyrrolidine
CID 170641790
1-But-1-en-2-yl-3,3-difluoropyrrolidine
CID 170642143
N-[(E)-but-2-en-2-yl]-4,4-difluoro-N-propylbutan-1-amine
CID 173899210
1-[(Z)-but-2-en-2-yl]-3,3-difluoropyrrolidine
CID 143653006

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4,4,4-trifluorobut-2-en-2-yl]pyrrolidine?
The IUPAC name of 1-[(E)-4,4,4-trifluorobut-2-en-2-yl]pyrrolidine (CID 129271802) is 1-[(E)-4,4,4-trifluorobut-2-en-2-yl]pyrrolidine.
What is the SMILES notation for 1-[(E)-4,4,4-trifluorobut-2-en-2-yl]pyrrolidine?
The canonical SMILES for 1-[(E)-4,4,4-trifluorobut-2-en-2-yl]pyrrolidine is C/C(=C\C(F)(F)F)N1CCCC1.
What is the InChIKey of 1-[(E)-4,4,4-trifluorobut-2-en-2-yl]pyrrolidine?
The InChIKey is KFHGOHGDSFGOOU-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H12F3N/c1-7(6-8(9,10)11)12-4-2-3-5-12/h6H,2-5H2,1H3/b7-6+.
What are the key properties of 1-[(E)-4,4,4-trifluorobut-2-en-2-yl]pyrrolidine?
1-[(E)-4,4,4-trifluorobut-2-en-2-yl]pyrrolidine has a molecular weight of 179.19 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4,4,4-trifluorobut-2-en-2-yl]pyrrolidine is sourced from PubChem (CID 129271802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).