4-fluoro-1,2-dimethyl-2-propylpyrrolidine

C9H18FN — CID 170704706

IUPAC4-fluoro-1,2-dimethyl-2-propylpyrrolidine
SMILESCCCC1(C)CC(F)CN1C
InChIInChI=1S/C9H18FN/c1-4-5-9(2)6-8(10)7-11(9)3/h8H,4-7H2,1-3H3
InChIKeyUDXQXUVYTSKIFU-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.22
Rot. Bonds2

About 4-fluoro-1,2-dimethyl-2-propylpyrrolidine

4-fluoro-1,2-dimethyl-2-propylpyrrolidine (PubChem CID 170704706) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is 4-fluoro-1,2-dimethyl-2-propylpyrrolidine.

Molecular Properties

Compound Name4-fluoro-1,2-dimethyl-2-propylpyrrolidine
PubChem CID170704706
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name4-fluoro-1,2-dimethyl-2-propylpyrrolidine
SMILESCCCC1(C)CC(F)CN1C
InChIInChI=1S/C9H18FN/c1-4-5-9(2)6-8(10)7-11(9)3/h8H,4-7H2,1-3H3
InChIKeyUDXQXUVYTSKIFU-UHFFFAOYSA-N
XLogP2.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1,2-dimethyl-2-propylpyrrolidine?
The IUPAC name of 4-fluoro-1,2-dimethyl-2-propylpyrrolidine (CID 170704706) is 4-fluoro-1,2-dimethyl-2-propylpyrrolidine.
What is the SMILES notation for 4-fluoro-1,2-dimethyl-2-propylpyrrolidine?
The canonical SMILES for 4-fluoro-1,2-dimethyl-2-propylpyrrolidine is CCCC1(C)CC(F)CN1C.
What is the InChIKey of 4-fluoro-1,2-dimethyl-2-propylpyrrolidine?
The InChIKey is UDXQXUVYTSKIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-4-5-9(2)6-8(10)7-11(9)3/h8H,4-7H2,1-3H3.
What are the key properties of 4-fluoro-1,2-dimethyl-2-propylpyrrolidine?
4-fluoro-1,2-dimethyl-2-propylpyrrolidine has a molecular weight of 159.25 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1,2-dimethyl-2-propylpyrrolidine is sourced from PubChem (CID 170704706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).