(3S)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine

C7H12F3N — CID 122495210

IUPAC(3S)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine
SMILESC[C@H]1CCN(CC(F)(F)F)C1
InChIInChI=1S/C7H12F3N/c1-6-2-3-11(4-6)5-7(8,9)10/h6H,2-5H2,1H3/t6-/m0/s1
InChIKeyLCNMWINITBZUBL-LURJTMIESA-N
MW167.17 g/mol
LogP1.89
Rot. Bonds1

About (3S)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine

(3S)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine (PubChem CID 122495210) has the molecular formula C7H12F3N and a molecular weight of 167.17 g/mol. Its IUPAC name is (3S)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine.

Molecular Properties

Compound Name(3S)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine
PubChem CID122495210
Molecular FormulaC7H12F3N
Molecular Weight167.17 g/mol
Exact Mass167.09
IUPAC Name(3S)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine
SMILESC[C@H]1CCN(CC(F)(F)F)C1
InChIInChI=1S/C7H12F3N/c1-6-2-3-11(4-6)5-7(8,9)10/h6H,2-5H2,1H3/t6-/m0/s1
InChIKeyLCNMWINITBZUBL-LURJTMIESA-N
XLogP1.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;4-methyl-1-(2,2,2-trifluoroethyl)piperidine
CID 142345486
3-methyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-1-carboxamide
CID 60606505
N,2,2-trimethyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 62257427
2,2-dimethyl-3-(3-methylpyrrolidin-1-yl)propanoic acid
CID 62270133
CID 23403793
CID 23403793
ethane;1-ethyl-3-methylpyrrolidine
CID 90936593
N-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;dihydrochloride
CID 122156751
4-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine
CID 146488819
4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine
CID 59416758
3-pyrrolidin-1-yl-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 175318874
1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbaldehyde
CID 84657695
(3R)-3-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine
CID 58573528

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine?
The IUPAC name of (3S)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine (CID 122495210) is (3S)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine.
What is the SMILES notation for (3S)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine?
The canonical SMILES for (3S)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine is C[C@H]1CCN(CC(F)(F)F)C1.
What is the InChIKey of (3S)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine?
The InChIKey is LCNMWINITBZUBL-LURJTMIESA-N. The full InChI is InChI=1S/C7H12F3N/c1-6-2-3-11(4-6)5-7(8,9)10/h6H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of (3S)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine?
(3S)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine has a molecular weight of 167.17 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine is sourced from PubChem (CID 122495210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).