1-fluoro-2,3,3-trimethylpyrrolidine

C7H14FN — CID 174912823

IUPAC1-fluoro-2,3,3-trimethylpyrrolidine
SMILESCC1N(F)CCC1(C)C
InChIInChI=1S/C7H14FN/c1-6-7(2,3)4-5-9(6)8/h6H,4-5H2,1-3H3
InChIKeyPIFQPMYNSRIOKD-UHFFFAOYSA-N
MW131.19 g/mol
LogP1.99
Rot. Bonds

About 1-fluoro-2,3,3-trimethylpyrrolidine

1-fluoro-2,3,3-trimethylpyrrolidine (PubChem CID 174912823) has the molecular formula C7H14FN and a molecular weight of 131.19 g/mol. Its IUPAC name is 1-fluoro-2,3,3-trimethylpyrrolidine.

Molecular Properties

Compound Name1-fluoro-2,3,3-trimethylpyrrolidine
PubChem CID174912823
Molecular FormulaC7H14FN
Molecular Weight131.19 g/mol
Exact Mass131.11
IUPAC Name1-fluoro-2,3,3-trimethylpyrrolidine
SMILESCC1N(F)CCC1(C)C
InChIInChI=1S/C7H14FN/c1-6-7(2,3)4-5-9(6)8/h6H,4-5H2,1-3H3
InChIKeyPIFQPMYNSRIOKD-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

(2S)-1,2,3,3-tetramethylazepane
CID 134581550
2-methyl-1-(2,3,3-trimethylpyrrolidin-1-yl)propan-1-one
CID 170767616
1-tert-butyl-2,3,3-trimethylpiperidine
CID 134197501
azane;1,1,2-trimethylcyclopropane;hydrochloride
CID 174915163
3,3-difluoro-1,2-dimethylpyrrolidine
CID 90368643
1-(2,2-dimethylcyclobutyl)-2-methylpiperidin-4-amine
CID 130554797
1-hydroxy-5,5,6-trimethylpiperidin-2-one
CID 102314658
(2S)-1,1,2-trimethylcyclobutane
CID 59954523
(2S)-1,1,2-trimethylcyclopropane
CID 25022262
(8S)-2,3,3,7,7,8-hexamethylazocane
CID 89004687
(2S)-2-(methoxymethyl)-1,3,3-trimethylpyrrolidine
CID 168881213
(3S)-1,2,2,3-tetramethylaziridine
CID 153012898

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2,3,3-trimethylpyrrolidine?
The IUPAC name of 1-fluoro-2,3,3-trimethylpyrrolidine (CID 174912823) is 1-fluoro-2,3,3-trimethylpyrrolidine.
What is the SMILES notation for 1-fluoro-2,3,3-trimethylpyrrolidine?
The canonical SMILES for 1-fluoro-2,3,3-trimethylpyrrolidine is CC1N(F)CCC1(C)C.
What is the InChIKey of 1-fluoro-2,3,3-trimethylpyrrolidine?
The InChIKey is PIFQPMYNSRIOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FN/c1-6-7(2,3)4-5-9(6)8/h6H,4-5H2,1-3H3.
What are the key properties of 1-fluoro-2,3,3-trimethylpyrrolidine?
1-fluoro-2,3,3-trimethylpyrrolidine has a molecular weight of 131.19 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2,3,3-trimethylpyrrolidine is sourced from PubChem (CID 174912823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).