4-(fluoromethyl)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine

C10H20FNO — CID 176568453

IUPAC4-(fluoromethyl)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
SMILESCC(C)OCC1CC(CF)CN1C
InChIInChI=1S/C10H20FNO/c1-8(2)13-7-10-4-9(5-11)6-12(10)3/h8-10H,4-7H2,1-3H3
InChIKeyFMNBDDKBLSKKKU-UHFFFAOYSA-N
MW189.27 g/mol
LogP1.70
Rot. Bonds4

About 4-(fluoromethyl)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine

4-(fluoromethyl)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine (PubChem CID 176568453) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is 4-(fluoromethyl)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine.

Molecular Properties

Compound Name4-(fluoromethyl)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
PubChem CID176568453
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name4-(fluoromethyl)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
SMILESCC(C)OCC1CC(CF)CN1C
InChIInChI=1S/C10H20FNO/c1-8(2)13-7-10-4-9(5-11)6-12(10)3/h8-10H,4-7H2,1-3H3
InChIKeyFMNBDDKBLSKKKU-UHFFFAOYSA-N
XLogP1.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine?
The IUPAC name of 4-(fluoromethyl)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine (CID 176568453) is 4-(fluoromethyl)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine.
What is the SMILES notation for 4-(fluoromethyl)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine?
The canonical SMILES for 4-(fluoromethyl)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine is CC(C)OCC1CC(CF)CN1C.
What is the InChIKey of 4-(fluoromethyl)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine?
The InChIKey is FMNBDDKBLSKKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c1-8(2)13-7-10-4-9(5-11)6-12(10)3/h8-10H,4-7H2,1-3H3.
What are the key properties of 4-(fluoromethyl)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine?
4-(fluoromethyl)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine has a molecular weight of 189.27 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine is sourced from PubChem (CID 176568453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).