4-fluoro-1,2,2-trimethylpyrrolidine

C7H14FN — CID 21025965

IUPAC4-fluoro-1,2,2-trimethylpyrrolidine
SMILESCN1CC(F)CC1(C)C
InChIInChI=1S/C7H14FN/c1-7(2)4-6(8)5-9(7)3/h6H,4-5H2,1-3H3
InChIKeyTWVBVMNMWMYQNC-UHFFFAOYSA-N
MW131.19 g/mol
LogP1.44
Rot. Bonds

About 4-fluoro-1,2,2-trimethylpyrrolidine

4-fluoro-1,2,2-trimethylpyrrolidine (PubChem CID 21025965) has the molecular formula C7H14FN and a molecular weight of 131.19 g/mol. Its IUPAC name is 4-fluoro-1,2,2-trimethylpyrrolidine.

Molecular Properties

Compound Name4-fluoro-1,2,2-trimethylpyrrolidine
PubChem CID21025965
Molecular FormulaC7H14FN
Molecular Weight131.19 g/mol
Exact Mass131.11
IUPAC Name4-fluoro-1,2,2-trimethylpyrrolidine
SMILESCN1CC(F)CC1(C)C
InChIInChI=1S/C7H14FN/c1-7(2)4-6(8)5-9(7)3/h6H,4-5H2,1-3H3
InChIKeyTWVBVMNMWMYQNC-UHFFFAOYSA-N
XLogP1.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.19
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1,2,2-trimethylpyrrolidine?
The IUPAC name of 4-fluoro-1,2,2-trimethylpyrrolidine (CID 21025965) is 4-fluoro-1,2,2-trimethylpyrrolidine.
What is the SMILES notation for 4-fluoro-1,2,2-trimethylpyrrolidine?
The canonical SMILES for 4-fluoro-1,2,2-trimethylpyrrolidine is CN1CC(F)CC1(C)C.
What is the InChIKey of 4-fluoro-1,2,2-trimethylpyrrolidine?
The InChIKey is TWVBVMNMWMYQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FN/c1-7(2)4-6(8)5-9(7)3/h6H,4-5H2,1-3H3.
What are the key properties of 4-fluoro-1,2,2-trimethylpyrrolidine?
4-fluoro-1,2,2-trimethylpyrrolidine has a molecular weight of 131.19 g/mol, XLogP of 1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1,2,2-trimethylpyrrolidine is sourced from PubChem (CID 21025965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).