(2R)-4,4-difluoro-2-methyl-1-[(E)-3-phenylprop-1-enyl]pyrrolidine

C14H17F2N — CID 162403316

IUPAC(2R)-4,4-difluoro-2-methyl-1-[(E)-3-phenylprop-1-enyl]pyrrolidine
SMILESC[C@@H]1CC(F)(F)CN1/C=C/Cc1ccccc1
InChIInChI=1S/C14H17F2N/c1-12-10-14(15,16)11-17(12)9-5-8-13-6-3-2-4-7-13/h2-7,9,12H,8,10-11H2,1H3/b9-5+/t12-/m1/s1
InChIKeyXIRVROWHEOJHKX-BIPYJSMBSA-N
MW237.29 g/mol
LogP3.47
Rot. Bonds3

About (2R)-4,4-difluoro-2-methyl-1-[(E)-3-phenylprop-1-enyl]pyrrolidine

(2R)-4,4-difluoro-2-methyl-1-[(E)-3-phenylprop-1-enyl]pyrrolidine (PubChem CID 162403316) has the molecular formula C14H17F2N and a molecular weight of 237.29 g/mol. Its IUPAC name is (2R)-4,4-difluoro-2-methyl-1-[(E)-3-phenylprop-1-enyl]pyrrolidine.

Molecular Properties

Compound Name(2R)-4,4-difluoro-2-methyl-1-[(E)-3-phenylprop-1-enyl]pyrrolidine
PubChem CID162403316
Molecular FormulaC14H17F2N
Molecular Weight237.29 g/mol
Exact Mass237.13
IUPAC Name(2R)-4,4-difluoro-2-methyl-1-[(E)-3-phenylprop-1-enyl]pyrrolidine
SMILESC[C@@H]1CC(F)(F)CN1/C=C/Cc1ccccc1
InChIInChI=1S/C14H17F2N/c1-12-10-14(15,16)11-17(12)9-5-8-13-6-3-2-4-7-13/h2-7,9,12H,8,10-11H2,1H3/b9-5+/t12-/m1/s1
InChIKeyXIRVROWHEOJHKX-BIPYJSMBSA-N
XLogP3.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Prolintane
CID 14592
Dimethylamphetamine
CID 20006
Dimethamphetamine
CID 65682
Prolintane Hydrochloride
CID 14591
(2R)-2-methyl-1-[2-(4-methylphenyl)ethyl]pyrrolidine
CID 44456127
1-(5-Phenyl-pentyl)-pyrrolidine
CID 18703006
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
N,N-dibutyl-3-(4-fluorophenyl)propylamine
CID 46212109

Frequently Asked Questions

What is the IUPAC name of (2R)-4,4-difluoro-2-methyl-1-[(E)-3-phenylprop-1-enyl]pyrrolidine?
The IUPAC name of (2R)-4,4-difluoro-2-methyl-1-[(E)-3-phenylprop-1-enyl]pyrrolidine (CID 162403316) is (2R)-4,4-difluoro-2-methyl-1-[(E)-3-phenylprop-1-enyl]pyrrolidine.
What is the SMILES notation for (2R)-4,4-difluoro-2-methyl-1-[(E)-3-phenylprop-1-enyl]pyrrolidine?
The canonical SMILES for (2R)-4,4-difluoro-2-methyl-1-[(E)-3-phenylprop-1-enyl]pyrrolidine is C[C@@H]1CC(F)(F)CN1/C=C/Cc1ccccc1.
What is the InChIKey of (2R)-4,4-difluoro-2-methyl-1-[(E)-3-phenylprop-1-enyl]pyrrolidine?
The InChIKey is XIRVROWHEOJHKX-BIPYJSMBSA-N. The full InChI is InChI=1S/C14H17F2N/c1-12-10-14(15,16)11-17(12)9-5-8-13-6-3-2-4-7-13/h2-7,9,12H,8,10-11H2,1H3/b9-5+/t12-/m1/s1.
What are the key properties of (2R)-4,4-difluoro-2-methyl-1-[(E)-3-phenylprop-1-enyl]pyrrolidine?
(2R)-4,4-difluoro-2-methyl-1-[(E)-3-phenylprop-1-enyl]pyrrolidine has a molecular weight of 237.29 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4,4-difluoro-2-methyl-1-[(E)-3-phenylprop-1-enyl]pyrrolidine is sourced from PubChem (CID 162403316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).