2-(difluoromethyl)-1-(3-phenylpropyl)pyrrolidine

C14H19F2N — CID 144581233

IUPAC2-(difluoromethyl)-1-(3-phenylpropyl)pyrrolidine
SMILESFC(F)C1CCCN1CCCc1ccccc1
InChIInChI=1S/C14H19F2N/c15-14(16)13-9-5-11-17(13)10-4-8-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2
InChIKeyDQEHDGYNFVDHOV-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.35
Rot. Bonds5

About 2-(difluoromethyl)-1-(3-phenylpropyl)pyrrolidine

2-(difluoromethyl)-1-(3-phenylpropyl)pyrrolidine (PubChem CID 144581233) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-(difluoromethyl)-1-(3-phenylpropyl)pyrrolidine.

Molecular Properties

Compound Name2-(difluoromethyl)-1-(3-phenylpropyl)pyrrolidine
PubChem CID144581233
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-(difluoromethyl)-1-(3-phenylpropyl)pyrrolidine
SMILESFC(F)C1CCCN1CCCc1ccccc1
InChIInChI=1S/C14H19F2N/c15-14(16)13-9-5-11-17(13)10-4-8-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2
InChIKeyDQEHDGYNFVDHOV-UHFFFAOYSA-N
XLogP3.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1-(3-phenylpropyl)pyrrolidine?
The IUPAC name of 2-(difluoromethyl)-1-(3-phenylpropyl)pyrrolidine (CID 144581233) is 2-(difluoromethyl)-1-(3-phenylpropyl)pyrrolidine.
What is the SMILES notation for 2-(difluoromethyl)-1-(3-phenylpropyl)pyrrolidine?
The canonical SMILES for 2-(difluoromethyl)-1-(3-phenylpropyl)pyrrolidine is FC(F)C1CCCN1CCCc1ccccc1.
What is the InChIKey of 2-(difluoromethyl)-1-(3-phenylpropyl)pyrrolidine?
The InChIKey is DQEHDGYNFVDHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c15-14(16)13-9-5-11-17(13)10-4-8-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2.
What are the key properties of 2-(difluoromethyl)-1-(3-phenylpropyl)pyrrolidine?
2-(difluoromethyl)-1-(3-phenylpropyl)pyrrolidine has a molecular weight of 239.31 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1-(3-phenylpropyl)pyrrolidine is sourced from PubChem (CID 144581233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).