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

Name: (2R)-4,4-difluoro-2-methyl-1-[(E)-3-phenylprop-1-enyl]pyrrolidine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₄H₁₇F₂N — CID 162403316

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 CID	162403316
Molecular Formula	C₁₄H₁₇F₂N
Molecular Weight	237.29 g/mol
Exact Mass	237.13
IUPAC Name	(2R)-4,4-difluoro-2-methyl-1-[(E)-3-phenylprop-1-enyl]pyrrolidine
SMILES	C[C@@H]1CC(F)(F)CN1/C=C/Cc1ccccc1
InChI	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
InChIKey	XIRVROWHEOJHKX-BIPYJSMBSA-N
XLogP	3.47
TPSA	3.24 Å²
H-Bond Donors
H-Bond Acceptors	1
Rotatable Bonds	3
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	237.29
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

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).

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Sources

PubChem CID 162403316 — identifiers, structure, computed properties (public domain)

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