2-[2-(difluoromethyl)-5-fluorophenyl]-1-propan-2-ylpyrrolidine

C14H18F3N — CID 58334528

IUPAC2-[2-(difluoromethyl)-5-fluorophenyl]-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CCCC1c1cc(F)ccc1C(F)F
InChIInChI=1S/C14H18F3N/c1-9(2)18-7-3-4-13(18)12-8-10(15)5-6-11(12)14(16)17/h5-6,8-9,13-14H,3-4,7H2,1-2H3
InChIKeyQLNJFDYIMPZLLZ-UHFFFAOYSA-N
MW257.30 g/mol
LogP4.31
Rot. Bonds3

About 2-[2-(difluoromethyl)-5-fluorophenyl]-1-propan-2-ylpyrrolidine

2-[2-(difluoromethyl)-5-fluorophenyl]-1-propan-2-ylpyrrolidine (PubChem CID 58334528) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-[2-(difluoromethyl)-5-fluorophenyl]-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name2-[2-(difluoromethyl)-5-fluorophenyl]-1-propan-2-ylpyrrolidine
PubChem CID58334528
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name2-[2-(difluoromethyl)-5-fluorophenyl]-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CCCC1c1cc(F)ccc1C(F)F
InChIInChI=1S/C14H18F3N/c1-9(2)18-7-3-4-13(18)12-8-10(15)5-6-11(12)14(16)17/h5-6,8-9,13-14H,3-4,7H2,1-2H3
InChIKeyQLNJFDYIMPZLLZ-UHFFFAOYSA-N
XLogP4.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethyl)-5-fluorophenyl]-1-propan-2-ylpyrrolidine?
The IUPAC name of 2-[2-(difluoromethyl)-5-fluorophenyl]-1-propan-2-ylpyrrolidine (CID 58334528) is 2-[2-(difluoromethyl)-5-fluorophenyl]-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 2-[2-(difluoromethyl)-5-fluorophenyl]-1-propan-2-ylpyrrolidine?
The canonical SMILES for 2-[2-(difluoromethyl)-5-fluorophenyl]-1-propan-2-ylpyrrolidine is CC(C)N1CCCC1c1cc(F)ccc1C(F)F.
What is the InChIKey of 2-[2-(difluoromethyl)-5-fluorophenyl]-1-propan-2-ylpyrrolidine?
The InChIKey is QLNJFDYIMPZLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c1-9(2)18-7-3-4-13(18)12-8-10(15)5-6-11(12)14(16)17/h5-6,8-9,13-14H,3-4,7H2,1-2H3.
What are the key properties of 2-[2-(difluoromethyl)-5-fluorophenyl]-1-propan-2-ylpyrrolidine?
2-[2-(difluoromethyl)-5-fluorophenyl]-1-propan-2-ylpyrrolidine has a molecular weight of 257.30 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethyl)-5-fluorophenyl]-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 58334528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).