(3S,4R)-4-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine

C7H13F3N2 — CID 144825309

IUPAC(3S,4R)-4-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
SMILESC[C@@H]1CN(CC(F)(F)F)C[C@H]1N
InChIInChI=1S/C7H13F3N2/c1-5-2-12(3-6(5)11)4-7(8,9)10/h5-6H,2-4,11H2,1H3/t5-,6-/m1/s1
InChIKeyNISNNCUZHCEWGL-PHDIDXHHSA-N
MW182.19 g/mol
LogP0.83
Rot. Bonds1

About (3S,4R)-4-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine

(3S,4R)-4-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine (PubChem CID 144825309) has the molecular formula C7H13F3N2 and a molecular weight of 182.19 g/mol. Its IUPAC name is (3S,4R)-4-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-4-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
PubChem CID144825309
Molecular FormulaC7H13F3N2
Molecular Weight182.19 g/mol
Exact Mass182.10
IUPAC Name(3S,4R)-4-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
SMILESC[C@@H]1CN(CC(F)(F)F)C[C@H]1N
InChIInChI=1S/C7H13F3N2/c1-5-2-12(3-6(5)11)4-7(8,9)10/h5-6H,2-4,11H2,1H3/t5-,6-/m1/s1
InChIKeyNISNNCUZHCEWGL-PHDIDXHHSA-N
XLogP0.83
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-3-amine;hydrochloride
CID 120909639
N-methyl-1-(2,2,2-trifluoroethyl)azetidin-3-amine
CID 84652953
(3aS,6aR)-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 131043306
1-(2-cyclohexylethyl)-4-methylpyrrolidin-3-amine
CID 103575423
(3aS,6aR)-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine;hydrochloride
CID 131043305
(3S,4R)-4-(4-fluorophenyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 162594715
3,5-dimethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-amine
CID 64735862
1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylpyrrolidin-3-amine
CID 103575425
(3S)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 122495210
1-[[1-(difluoromethyl)cyclopropyl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 130762779
1-[(4-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575513
1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]-4-methylpyrrolidin-3-amine
CID 120909105

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The IUPAC name of (3S,4R)-4-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine (CID 144825309) is (3S,4R)-4-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-4-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-4-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine is C[C@@H]1CN(CC(F)(F)F)C[C@H]1N.
What is the InChIKey of (3S,4R)-4-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The InChIKey is NISNNCUZHCEWGL-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H13F3N2/c1-5-2-12(3-6(5)11)4-7(8,9)10/h5-6H,2-4,11H2,1H3/t5-,6-/m1/s1.
What are the key properties of (3S,4R)-4-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
(3S,4R)-4-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine has a molecular weight of 182.19 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine is sourced from PubChem (CID 144825309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).