(2S)-2-[(4-fluorophenyl)methyl]-2-methylpyrrolidine

C12H16FN — CID 124511306

IUPAC(2S)-2-[(4-fluorophenyl)methyl]-2-methylpyrrolidine
SMILESC[C@@]1(Cc2ccc(F)cc2)CCCN1
InChIInChI=1S/C12H16FN/c1-12(7-2-8-14-12)9-10-3-5-11(13)6-4-10/h3-6,14H,2,7-9H2,1H3/t12-/m0/s1
InChIKeyRGMHMTZMDCMTJL-LBPRGKRZSA-N
MW193.27 g/mol
LogP2.51
Rot. Bonds2

About (2S)-2-[(4-fluorophenyl)methyl]-2-methylpyrrolidine

(2S)-2-[(4-fluorophenyl)methyl]-2-methylpyrrolidine (PubChem CID 124511306) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is (2S)-2-[(4-fluorophenyl)methyl]-2-methylpyrrolidine.

Molecular Properties

Compound Name(2S)-2-[(4-fluorophenyl)methyl]-2-methylpyrrolidine
PubChem CID124511306
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC Name(2S)-2-[(4-fluorophenyl)methyl]-2-methylpyrrolidine
SMILESC[C@@]1(Cc2ccc(F)cc2)CCCN1
InChIInChI=1S/C12H16FN/c1-12(7-2-8-14-12)9-10-3-5-11(13)6-4-10/h3-6,14H,2,7-9H2,1H3/t12-/m0/s1
InChIKeyRGMHMTZMDCMTJL-LBPRGKRZSA-N
XLogP2.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-fluorophenyl)methyl]-2-methylpyrrolidine?
The IUPAC name of (2S)-2-[(4-fluorophenyl)methyl]-2-methylpyrrolidine (CID 124511306) is (2S)-2-[(4-fluorophenyl)methyl]-2-methylpyrrolidine.
What is the SMILES notation for (2S)-2-[(4-fluorophenyl)methyl]-2-methylpyrrolidine?
The canonical SMILES for (2S)-2-[(4-fluorophenyl)methyl]-2-methylpyrrolidine is C[C@@]1(Cc2ccc(F)cc2)CCCN1.
What is the InChIKey of (2S)-2-[(4-fluorophenyl)methyl]-2-methylpyrrolidine?
The InChIKey is RGMHMTZMDCMTJL-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H16FN/c1-12(7-2-8-14-12)9-10-3-5-11(13)6-4-10/h3-6,14H,2,7-9H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-2-[(4-fluorophenyl)methyl]-2-methylpyrrolidine?
(2S)-2-[(4-fluorophenyl)methyl]-2-methylpyrrolidine has a molecular weight of 193.27 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-fluorophenyl)methyl]-2-methylpyrrolidine is sourced from PubChem (CID 124511306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).