3-(2-fluoro-2-methylbutyl)pyrrolidine

C9H18FN — CID 105431306

IUPAC3-(2-fluoro-2-methylbutyl)pyrrolidine
SMILESCCC(C)(F)CC1CCNC1
InChIInChI=1S/C9H18FN/c1-3-9(2,10)6-8-4-5-11-7-8/h8,11H,3-7H2,1-2H3
InChIKeyPAGPXJGGEIYTLW-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.12
Rot. Bonds3

About 3-(2-fluoro-2-methylbutyl)pyrrolidine

3-(2-fluoro-2-methylbutyl)pyrrolidine (PubChem CID 105431306) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is 3-(2-fluoro-2-methylbutyl)pyrrolidine.

Molecular Properties

Compound Name3-(2-fluoro-2-methylbutyl)pyrrolidine
PubChem CID105431306
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name3-(2-fluoro-2-methylbutyl)pyrrolidine
SMILESCCC(C)(F)CC1CCNC1
InChIInChI=1S/C9H18FN/c1-3-9(2,10)6-8-4-5-11-7-8/h8,11H,3-7H2,1-2H3
InChIKeyPAGPXJGGEIYTLW-UHFFFAOYSA-N
XLogP2.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,3-trifluoro-2-methyl-4-pyrrolidin-3-ylbutan-1-amine
CID 143374848
4-(2-fluoro-1-pyrrolidin-3-ylpropan-2-yl)phenol
CID 105480756
2-fluoro-N,2-dimethyl-3-piperidin-3-ylpropan-1-amine
CID 105443321
O-(2-methyl-1-pyrrolidin-3-ylpropan-2-yl)hydroxylamine
CID 117104669
ethane;3-ethylpyrrolidine
CID 143803201
3-(2,2-dimethylpropyl)piperidine
CID 21041533
3,3-difluoro-N-methyl-N-(pyrrolidin-3-ylmethyl)butan-1-amine
CID 84674397
ethane;3-ethylpyrrolidine;molecular hydrogen
CID 143963843
4-(3-fluoro-3-methylbutyl)piperidine
CID 83816497
4-(2,2-difluorobutyl)azepane
CID 105445203
3-(4,4-dimethylpentyl)pyrrolidine
CID 59630397
(3S)-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 94408814

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-2-methylbutyl)pyrrolidine?
The IUPAC name of 3-(2-fluoro-2-methylbutyl)pyrrolidine (CID 105431306) is 3-(2-fluoro-2-methylbutyl)pyrrolidine.
What is the SMILES notation for 3-(2-fluoro-2-methylbutyl)pyrrolidine?
The canonical SMILES for 3-(2-fluoro-2-methylbutyl)pyrrolidine is CCC(C)(F)CC1CCNC1.
What is the InChIKey of 3-(2-fluoro-2-methylbutyl)pyrrolidine?
The InChIKey is PAGPXJGGEIYTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-3-9(2,10)6-8-4-5-11-7-8/h8,11H,3-7H2,1-2H3.
What are the key properties of 3-(2-fluoro-2-methylbutyl)pyrrolidine?
3-(2-fluoro-2-methylbutyl)pyrrolidine has a molecular weight of 159.25 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-2-methylbutyl)pyrrolidine is sourced from PubChem (CID 105431306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).