1-[[4-(difluoromethoxy)phenyl]methyl]-2-ethylpyrrolidine

C14H19F2NO — CID 67953804

IUPAC1-[[4-(difluoromethoxy)phenyl]methyl]-2-ethylpyrrolidine
SMILESCCC1CCCN1Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C14H19F2NO/c1-2-12-4-3-9-17(12)10-11-5-7-13(8-6-11)18-14(15)16/h5-8,12,14H,2-4,9-10H2,1H3
InChIKeyMOQGBLPMHCBAJM-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.66
Rot. Bonds5

About 1-[[4-(difluoromethoxy)phenyl]methyl]-2-ethylpyrrolidine

1-[[4-(difluoromethoxy)phenyl]methyl]-2-ethylpyrrolidine (PubChem CID 67953804) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-[[4-(difluoromethoxy)phenyl]methyl]-2-ethylpyrrolidine.

Molecular Properties

Compound Name1-[[4-(difluoromethoxy)phenyl]methyl]-2-ethylpyrrolidine
PubChem CID67953804
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name1-[[4-(difluoromethoxy)phenyl]methyl]-2-ethylpyrrolidine
SMILESCCC1CCCN1Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C14H19F2NO/c1-2-12-4-3-9-17(12)10-11-5-7-13(8-6-11)18-14(15)16/h5-8,12,14H,2-4,9-10H2,1H3
InChIKeyMOQGBLPMHCBAJM-UHFFFAOYSA-N
XLogP3.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(difluoromethoxy)phenyl]methyl]-2-ethylpyrrolidine?
The IUPAC name of 1-[[4-(difluoromethoxy)phenyl]methyl]-2-ethylpyrrolidine (CID 67953804) is 1-[[4-(difluoromethoxy)phenyl]methyl]-2-ethylpyrrolidine.
What is the SMILES notation for 1-[[4-(difluoromethoxy)phenyl]methyl]-2-ethylpyrrolidine?
The canonical SMILES for 1-[[4-(difluoromethoxy)phenyl]methyl]-2-ethylpyrrolidine is CCC1CCCN1Cc1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[[4-(difluoromethoxy)phenyl]methyl]-2-ethylpyrrolidine?
The InChIKey is MOQGBLPMHCBAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-2-12-4-3-9-17(12)10-11-5-7-13(8-6-11)18-14(15)16/h5-8,12,14H,2-4,9-10H2,1H3.
What are the key properties of 1-[[4-(difluoromethoxy)phenyl]methyl]-2-ethylpyrrolidine?
1-[[4-(difluoromethoxy)phenyl]methyl]-2-ethylpyrrolidine has a molecular weight of 255.31 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(difluoromethoxy)phenyl]methyl]-2-ethylpyrrolidine is sourced from PubChem (CID 67953804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).