3-fluoro-4-[(2S)-pentan-2-yl]pyrrolidine

C9H18FN — CID 70648694

IUPAC3-fluoro-4-[(2S)-pentan-2-yl]pyrrolidine
SMILESCCC[C@H](C)C1CNCC1F
InChIInChI=1S/C9H18FN/c1-3-4-7(2)8-5-11-6-9(8)10/h7-9,11H,3-6H2,1-2H3/t7-,8?,9?/m0/s1
InChIKeyFAGDOFBRLTVMRO-UEJVZZJDSA-N
MW159.25 g/mol
LogP1.98
Rot. Bonds3

About 3-fluoro-4-[(2S)-pentan-2-yl]pyrrolidine

3-fluoro-4-[(2S)-pentan-2-yl]pyrrolidine (PubChem CID 70648694) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is 3-fluoro-4-[(2S)-pentan-2-yl]pyrrolidine.

Molecular Properties

Compound Name3-fluoro-4-[(2S)-pentan-2-yl]pyrrolidine
PubChem CID70648694
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name3-fluoro-4-[(2S)-pentan-2-yl]pyrrolidine
SMILESCCC[C@H](C)C1CNCC1F
InChIInChI=1S/C9H18FN/c1-3-4-7(2)8-5-11-6-9(8)10/h7-9,11H,3-6H2,1-2H3/t7-,8?,9?/m0/s1
InChIKeyFAGDOFBRLTVMRO-UEJVZZJDSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(2S)-pentan-2-yl]pyrrolidine?
The IUPAC name of 3-fluoro-4-[(2S)-pentan-2-yl]pyrrolidine (CID 70648694) is 3-fluoro-4-[(2S)-pentan-2-yl]pyrrolidine.
What is the SMILES notation for 3-fluoro-4-[(2S)-pentan-2-yl]pyrrolidine?
The canonical SMILES for 3-fluoro-4-[(2S)-pentan-2-yl]pyrrolidine is CCC[C@H](C)C1CNCC1F.
What is the InChIKey of 3-fluoro-4-[(2S)-pentan-2-yl]pyrrolidine?
The InChIKey is FAGDOFBRLTVMRO-UEJVZZJDSA-N. The full InChI is InChI=1S/C9H18FN/c1-3-4-7(2)8-5-11-6-9(8)10/h7-9,11H,3-6H2,1-2H3/t7-,8?,9?/m0/s1.
What are the key properties of 3-fluoro-4-[(2S)-pentan-2-yl]pyrrolidine?
3-fluoro-4-[(2S)-pentan-2-yl]pyrrolidine has a molecular weight of 159.25 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(2S)-pentan-2-yl]pyrrolidine is sourced from PubChem (CID 70648694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).