1-[(E,2R)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]pyrrolidine

C14H16F3N — CID 134862015

IUPAC1-[(E,2R)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]pyrrolidine
SMILESFC(F)(F)[C@@H](/C=C/c1ccccc1)N1CCCC1
InChIInChI=1S/C14H16F3N/c15-14(16,17)13(18-10-4-5-11-18)9-8-12-6-2-1-3-7-12/h1-3,6-9,13H,4-5,10-11H2/b9-8+/t13-/m1/s1
InChIKeyPKORTDUXOUOQLA-MMQHEFTJSA-N
MW255.28 g/mol
LogP3.73
Rot. Bonds3

About 1-[(E,2R)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]pyrrolidine

1-[(E,2R)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]pyrrolidine (PubChem CID 134862015) has the molecular formula C14H16F3N and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-[(E,2R)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]pyrrolidine.

Molecular Properties

Compound Name1-[(E,2R)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]pyrrolidine
PubChem CID134862015
Molecular FormulaC14H16F3N
Molecular Weight255.28 g/mol
Exact Mass255.12
IUPAC Name1-[(E,2R)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]pyrrolidine
SMILESFC(F)(F)[C@@H](/C=C/c1ccccc1)N1CCCC1
InChIInChI=1S/C14H16F3N/c15-14(16,17)13(18-10-4-5-11-18)9-8-12-6-2-1-3-7-12/h1-3,6-9,13H,4-5,10-11H2/b9-8+/t13-/m1/s1
InChIKeyPKORTDUXOUOQLA-MMQHEFTJSA-N
XLogP3.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Prolintane
CID 14592
Prolintane Hydrochloride
CID 14591
3-(Diphenylmethylene)-1,1-Diethyl-2-Methylpyrrolidinium
CID 4905
(2R)-2-methyl-1-[2-(4-methylphenyl)ethyl]pyrrolidine
CID 44456127
1-(5-Phenyl-pentyl)-pyrrolidine
CID 18703006
N-methyl-2-phenylpyrrolidine
CID 248799
1-(2-Phenylethyl)pyrrolidine
CID 411735
(2S)-2-methyl-1-[2-(4-methylphenyl)ethyl]pyrrolidine
CID 44456126
(2S)-2-methyl-1-[2-(3-methylphenyl)ethyl]pyrrolidine
CID 44456131
(2R)-2-methyl-1-[2-(3-methylphenyl)ethyl]pyrrolidine
CID 44456132
1-Propyl-3-(3-trifluoromethyl-phenyl)-pyrrolidine
CID 44460502
(2S)-1-Methyl-2-phenylpyrrolidine
CID 12625600

Frequently Asked Questions

What is the IUPAC name of 1-[(E,2R)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]pyrrolidine?
The IUPAC name of 1-[(E,2R)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]pyrrolidine (CID 134862015) is 1-[(E,2R)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]pyrrolidine.
What is the SMILES notation for 1-[(E,2R)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]pyrrolidine?
The canonical SMILES for 1-[(E,2R)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]pyrrolidine is FC(F)(F)[C@@H](/C=C/c1ccccc1)N1CCCC1.
What is the InChIKey of 1-[(E,2R)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]pyrrolidine?
The InChIKey is PKORTDUXOUOQLA-MMQHEFTJSA-N. The full InChI is InChI=1S/C14H16F3N/c15-14(16,17)13(18-10-4-5-11-18)9-8-12-6-2-1-3-7-12/h1-3,6-9,13H,4-5,10-11H2/b9-8+/t13-/m1/s1.
What are the key properties of 1-[(E,2R)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]pyrrolidine?
1-[(E,2R)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]pyrrolidine has a molecular weight of 255.28 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E,2R)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]pyrrolidine is sourced from PubChem (CID 134862015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).