2-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-2-methylpyrrolidine

C14H19F2N — CID 117351178

IUPAC2-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-2-methylpyrrolidine
SMILESCC(C)(F)c1ccc(F)c(C2(C)CCCN2)c1
InChIInChI=1S/C14H19F2N/c1-13(2,16)10-5-6-12(15)11(9-10)14(3)7-4-8-17-14/h5-6,9,17H,4,7-8H2,1-3H3
InChIKeyUCALVPJQIJPOFF-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.63
Rot. Bonds2

About 2-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-2-methylpyrrolidine

2-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-2-methylpyrrolidine (PubChem CID 117351178) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-2-methylpyrrolidine.

Molecular Properties

Compound Name2-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-2-methylpyrrolidine
PubChem CID117351178
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-2-methylpyrrolidine
SMILESCC(C)(F)c1ccc(F)c(C2(C)CCCN2)c1
InChIInChI=1S/C14H19F2N/c1-13(2,16)10-5-6-12(15)11(9-10)14(3)7-4-8-17-14/h5-6,9,17H,4,7-8H2,1-3H3
InChIKeyUCALVPJQIJPOFF-UHFFFAOYSA-N
XLogP3.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-2-methylpyrrolidine?
The IUPAC name of 2-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-2-methylpyrrolidine (CID 117351178) is 2-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-2-methylpyrrolidine.
What is the SMILES notation for 2-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-2-methylpyrrolidine?
The canonical SMILES for 2-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-2-methylpyrrolidine is CC(C)(F)c1ccc(F)c(C2(C)CCCN2)c1.
What is the InChIKey of 2-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-2-methylpyrrolidine?
The InChIKey is UCALVPJQIJPOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-13(2,16)10-5-6-12(15)11(9-10)14(3)7-4-8-17-14/h5-6,9,17H,4,7-8H2,1-3H3.
What are the key properties of 2-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-2-methylpyrrolidine?
2-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-2-methylpyrrolidine has a molecular weight of 239.31 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-2-methylpyrrolidine is sourced from PubChem (CID 117351178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).