3-(2,2-dimethylpropyl)-1-(2-fluoroethyl)pyrrolidine

C11H22FN — CID 167209498

IUPAC3-(2,2-dimethylpropyl)-1-(2-fluoroethyl)pyrrolidine
SMILESCC(C)(C)CC1CCN(CCF)C1
InChIInChI=1S/C11H22FN/c1-11(2,3)8-10-4-6-13(9-10)7-5-12/h10H,4-9H2,1-3H3
InChIKeyVAHXHRAQWPHNBM-UHFFFAOYSA-N
MW187.30 g/mol
LogP2.71
Rot. Bonds3

About 3-(2,2-dimethylpropyl)-1-(2-fluoroethyl)pyrrolidine

3-(2,2-dimethylpropyl)-1-(2-fluoroethyl)pyrrolidine (PubChem CID 167209498) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-1-(2-fluoroethyl)pyrrolidine.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-1-(2-fluoroethyl)pyrrolidine
PubChem CID167209498
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC Name3-(2,2-dimethylpropyl)-1-(2-fluoroethyl)pyrrolidine
SMILESCC(C)(C)CC1CCN(CCF)C1
InChIInChI=1S/C11H22FN/c1-11(2,3)8-10-4-6-13(9-10)7-5-12/h10H,4-9H2,1-3H3
InChIKeyVAHXHRAQWPHNBM-UHFFFAOYSA-N
XLogP2.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.30
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 129106684
CID 129106684
CID 178101495
CID 178101495
CID 178101614
CID 178101614
CID 18722953
CID 18722953
CID 72457033
CID 72457033
CID 129125222
CID 129125222
CID 163647130
CID 163647130
CID 18723118
CID 18723118
CID 22972511
CID 22972511
CID 57639817
CID 57639817
CID 57979610
CID 57979610
CID 58185605
CID 58185605

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-1-(2-fluoroethyl)pyrrolidine?
The IUPAC name of 3-(2,2-dimethylpropyl)-1-(2-fluoroethyl)pyrrolidine (CID 167209498) is 3-(2,2-dimethylpropyl)-1-(2-fluoroethyl)pyrrolidine.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-1-(2-fluoroethyl)pyrrolidine?
The canonical SMILES for 3-(2,2-dimethylpropyl)-1-(2-fluoroethyl)pyrrolidine is CC(C)(C)CC1CCN(CCF)C1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-1-(2-fluoroethyl)pyrrolidine?
The InChIKey is VAHXHRAQWPHNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FN/c1-11(2,3)8-10-4-6-13(9-10)7-5-12/h10H,4-9H2,1-3H3.
What are the key properties of 3-(2,2-dimethylpropyl)-1-(2-fluoroethyl)pyrrolidine?
3-(2,2-dimethylpropyl)-1-(2-fluoroethyl)pyrrolidine has a molecular weight of 187.30 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-1-(2-fluoroethyl)pyrrolidine is sourced from PubChem (CID 167209498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).