2-[4-(1,1-difluoroprop-2-enyl)phenyl]-1-methylpyrrolidine

C14H17F2N — CID 162556026

IUPAC2-[4-(1,1-difluoroprop-2-enyl)phenyl]-1-methylpyrrolidine
SMILESC=CC(F)(F)c1ccc(C2CCCN2C)cc1
InChIInChI=1S/C14H17F2N/c1-3-14(15,16)12-8-6-11(7-9-12)13-5-4-10-17(13)2/h3,6-9,13H,1,4-5,10H2,2H3
InChIKeyCOXYBURMJIBOIE-UHFFFAOYSA-N
MW237.29 g/mol
LogP3.73
Rot. Bonds3

About 2-[4-(1,1-difluoroprop-2-enyl)phenyl]-1-methylpyrrolidine

2-[4-(1,1-difluoroprop-2-enyl)phenyl]-1-methylpyrrolidine (PubChem CID 162556026) has the molecular formula C14H17F2N and a molecular weight of 237.29 g/mol. Its IUPAC name is 2-[4-(1,1-difluoroprop-2-enyl)phenyl]-1-methylpyrrolidine.

Molecular Properties

Compound Name2-[4-(1,1-difluoroprop-2-enyl)phenyl]-1-methylpyrrolidine
PubChem CID162556026
Molecular FormulaC14H17F2N
Molecular Weight237.29 g/mol
Exact Mass237.13
IUPAC Name2-[4-(1,1-difluoroprop-2-enyl)phenyl]-1-methylpyrrolidine
SMILESC=CC(F)(F)c1ccc(C2CCCN2C)cc1
InChIInChI=1S/C14H17F2N/c1-3-14(15,16)12-8-6-11(7-9-12)13-5-4-10-17(13)2/h3,6-9,13H,1,4-5,10H2,2H3
InChIKeyCOXYBURMJIBOIE-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,1-difluoroprop-2-enyl)phenyl]-1-methylpyrrolidine?
The IUPAC name of 2-[4-(1,1-difluoroprop-2-enyl)phenyl]-1-methylpyrrolidine (CID 162556026) is 2-[4-(1,1-difluoroprop-2-enyl)phenyl]-1-methylpyrrolidine.
What is the SMILES notation for 2-[4-(1,1-difluoroprop-2-enyl)phenyl]-1-methylpyrrolidine?
The canonical SMILES for 2-[4-(1,1-difluoroprop-2-enyl)phenyl]-1-methylpyrrolidine is C=CC(F)(F)c1ccc(C2CCCN2C)cc1.
What is the InChIKey of 2-[4-(1,1-difluoroprop-2-enyl)phenyl]-1-methylpyrrolidine?
The InChIKey is COXYBURMJIBOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N/c1-3-14(15,16)12-8-6-11(7-9-12)13-5-4-10-17(13)2/h3,6-9,13H,1,4-5,10H2,2H3.
What are the key properties of 2-[4-(1,1-difluoroprop-2-enyl)phenyl]-1-methylpyrrolidine?
2-[4-(1,1-difluoroprop-2-enyl)phenyl]-1-methylpyrrolidine has a molecular weight of 237.29 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 2-[4-(1,1-difluoroprop-2-enyl)phenyl]-1-methylpyrrolidine is sourced from PubChem (CID 162556026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).