(2S)-1-methyl-2-(trifluoromethyl)pyrrolidine

C6H10F3N — CID 59473069

IUPAC(2S)-1-methyl-2-(trifluoromethyl)pyrrolidine
SMILESCN1CCC[C@H]1C(F)(F)F
InChIInChI=1S/C6H10F3N/c1-10-4-2-3-5(10)6(7,8)9/h5H,2-4H2,1H3/t5-/m0/s1
InChIKeyWABWXXQPBSCPSL-YFKPBYRVSA-N
MW153.15 g/mol
LogP1.64
Rot. Bonds

About (2S)-1-methyl-2-(trifluoromethyl)pyrrolidine

(2S)-1-methyl-2-(trifluoromethyl)pyrrolidine (PubChem CID 59473069) has the molecular formula C6H10F3N and a molecular weight of 153.15 g/mol. Its IUPAC name is (2S)-1-methyl-2-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-1-methyl-2-(trifluoromethyl)pyrrolidine
PubChem CID59473069
Molecular FormulaC6H10F3N
Molecular Weight153.15 g/mol
Exact Mass153.08
IUPAC Name(2S)-1-methyl-2-(trifluoromethyl)pyrrolidine
SMILESCN1CCC[C@H]1C(F)(F)F
InChIInChI=1S/C6H10F3N/c1-10-4-2-3-5(10)6(7,8)9/h5H,2-4H2,1H3/t5-/m0/s1
InChIKeyWABWXXQPBSCPSL-YFKPBYRVSA-N
XLogP1.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.15
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-2-(trifluoromethyl)pyrrolidine?
The IUPAC name of (2S)-1-methyl-2-(trifluoromethyl)pyrrolidine (CID 59473069) is (2S)-1-methyl-2-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for (2S)-1-methyl-2-(trifluoromethyl)pyrrolidine?
The canonical SMILES for (2S)-1-methyl-2-(trifluoromethyl)pyrrolidine is CN1CCC[C@H]1C(F)(F)F.
What is the InChIKey of (2S)-1-methyl-2-(trifluoromethyl)pyrrolidine?
The InChIKey is WABWXXQPBSCPSL-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10F3N/c1-10-4-2-3-5(10)6(7,8)9/h5H,2-4H2,1H3/t5-/m0/s1.
What are the key properties of (2S)-1-methyl-2-(trifluoromethyl)pyrrolidine?
(2S)-1-methyl-2-(trifluoromethyl)pyrrolidine has a molecular weight of 153.15 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-2-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 59473069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).