3-(3,5-difluorophenyl)-3-methoxy-1-propan-2-ylpyrrolidine

C14H19F2NO — CID 46207636

IUPAC3-(3,5-difluorophenyl)-3-methoxy-1-propan-2-ylpyrrolidine
SMILESCOC1(c2cc(F)cc(F)c2)CCN(C(C)C)C1
InChIInChI=1S/C14H19F2NO/c1-10(2)17-5-4-14(9-17,18-3)11-6-12(15)8-13(16)7-11/h6-8,10H,4-5,9H2,1-3H3
InChIKeyKLMMYPHLNAFNGG-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.92
Rot. Bonds3

About 3-(3,5-difluorophenyl)-3-methoxy-1-propan-2-ylpyrrolidine

3-(3,5-difluorophenyl)-3-methoxy-1-propan-2-ylpyrrolidine (PubChem CID 46207636) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-3-methoxy-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-3-methoxy-1-propan-2-ylpyrrolidine
PubChem CID46207636
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name3-(3,5-difluorophenyl)-3-methoxy-1-propan-2-ylpyrrolidine
SMILESCOC1(c2cc(F)cc(F)c2)CCN(C(C)C)C1
InChIInChI=1S/C14H19F2NO/c1-10(2)17-5-4-14(9-17,18-3)11-6-12(15)8-13(16)7-11/h6-8,10H,4-5,9H2,1-3H3
InChIKeyKLMMYPHLNAFNGG-UHFFFAOYSA-N
XLogP2.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-3-methoxy-1-propan-2-ylpyrrolidine?
The IUPAC name of 3-(3,5-difluorophenyl)-3-methoxy-1-propan-2-ylpyrrolidine (CID 46207636) is 3-(3,5-difluorophenyl)-3-methoxy-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 3-(3,5-difluorophenyl)-3-methoxy-1-propan-2-ylpyrrolidine?
The canonical SMILES for 3-(3,5-difluorophenyl)-3-methoxy-1-propan-2-ylpyrrolidine is COC1(c2cc(F)cc(F)c2)CCN(C(C)C)C1.
What is the InChIKey of 3-(3,5-difluorophenyl)-3-methoxy-1-propan-2-ylpyrrolidine?
The InChIKey is KLMMYPHLNAFNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-10(2)17-5-4-14(9-17,18-3)11-6-12(15)8-13(16)7-11/h6-8,10H,4-5,9H2,1-3H3.
What are the key properties of 3-(3,5-difluorophenyl)-3-methoxy-1-propan-2-ylpyrrolidine?
3-(3,5-difluorophenyl)-3-methoxy-1-propan-2-ylpyrrolidine has a molecular weight of 255.31 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-3-methoxy-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 46207636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).