(2S,3S)-2-methyl-3-(trifluoromethyl)pyrrolidine

C6H10F3N — CID 98041373

IUPAC(2S,3S)-2-methyl-3-(trifluoromethyl)pyrrolidine
SMILESC[C@@H]1NCC[C@@H]1C(F)(F)F
InChIInChI=1S/C6H10F3N/c1-4-5(2-3-10-4)6(7,8)9/h4-5,10H,2-3H2,1H3/t4-,5-/m0/s1
InChIKeyQQXQZXDBICHVKM-WHFBIAKZSA-N
MW153.15 g/mol
LogP1.55
Rot. Bonds

About (2S,3S)-2-methyl-3-(trifluoromethyl)pyrrolidine

(2S,3S)-2-methyl-3-(trifluoromethyl)pyrrolidine (PubChem CID 98041373) has the molecular formula C6H10F3N and a molecular weight of 153.15 g/mol. Its IUPAC name is (2S,3S)-2-methyl-3-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name(2S,3S)-2-methyl-3-(trifluoromethyl)pyrrolidine
PubChem CID98041373
Molecular FormulaC6H10F3N
Molecular Weight153.15 g/mol
Exact Mass153.08
IUPAC Name(2S,3S)-2-methyl-3-(trifluoromethyl)pyrrolidine
SMILESC[C@@H]1NCC[C@@H]1C(F)(F)F
InChIInChI=1S/C6H10F3N/c1-4-5(2-3-10-4)6(7,8)9/h4-5,10H,2-3H2,1H3/t4-,5-/m0/s1
InChIKeyQQXQZXDBICHVKM-WHFBIAKZSA-N
XLogP1.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.15
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,3R)-2-methyl-3-(trifluoromethyl)piperidine
CID 95366782
2-tert-butyl-3-(trifluoromethyl)pyrrolidine
CID 176601473
(2R,3S)-2-methylpyrrolidin-3-ol
CID 55287364
(2S,3R)-2-methylpyrrolidin-3-ol;hydrochloride
CID 67314682
(2S,3R,4R)-2,3-dimethylpiperidin-4-ol
CID 7238900
(2S,3S)-2-methyl-3-(trifluoromethyl)piperazine
CID 138991310
3-methyl-2-(trifluoromethyl)pyrrolidine
CID 82595109
(2S,3R)-3-(trifluoromethyl)pyrrolidine-2-carboxylic acid
CID 54594755
3-tert-butyl-2-methylpiperidine
CID 91446438
2-[3-(trifluoromethyl)pyrrolidin-2-yl]ethanamine
CID 82601276
(2S)-4-methyl-2-(trifluoromethyl)piperidine
CID 161454628
2,3-dimethylpyrrolidine;ethane
CID 90972313

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-methyl-3-(trifluoromethyl)pyrrolidine?
The IUPAC name of (2S,3S)-2-methyl-3-(trifluoromethyl)pyrrolidine (CID 98041373) is (2S,3S)-2-methyl-3-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for (2S,3S)-2-methyl-3-(trifluoromethyl)pyrrolidine?
The canonical SMILES for (2S,3S)-2-methyl-3-(trifluoromethyl)pyrrolidine is C[C@@H]1NCC[C@@H]1C(F)(F)F.
What is the InChIKey of (2S,3S)-2-methyl-3-(trifluoromethyl)pyrrolidine?
The InChIKey is QQXQZXDBICHVKM-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H10F3N/c1-4-5(2-3-10-4)6(7,8)9/h4-5,10H,2-3H2,1H3/t4-,5-/m0/s1.
What are the key properties of (2S,3S)-2-methyl-3-(trifluoromethyl)pyrrolidine?
(2S,3S)-2-methyl-3-(trifluoromethyl)pyrrolidine has a molecular weight of 153.15 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-methyl-3-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 98041373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).