[(2S,4R)-1-methyl-4-(trifluoromethoxy)pyrrolidin-2-yl]methanamine

C7H13F3N2O — CID 175670742

IUPAC[(2S,4R)-1-methyl-4-(trifluoromethoxy)pyrrolidin-2-yl]methanamine
SMILESCN1C[C@H](OC(F)(F)F)C[C@H]1CN
InChIInChI=1S/C7H13F3N2O/c1-12-4-6(2-5(12)3-11)13-7(8,9)10/h5-6H,2-4,11H2,1H3/t5-,6+/m0/s1
InChIKeyKAJRRXPGWBKZHX-NTSWFWBYSA-N
MW198.19 g/mol
LogP0.55
Rot. Bonds2

About [(2S,4R)-1-methyl-4-(trifluoromethoxy)pyrrolidin-2-yl]methanamine

[(2S,4R)-1-methyl-4-(trifluoromethoxy)pyrrolidin-2-yl]methanamine (PubChem CID 175670742) has the molecular formula C7H13F3N2O and a molecular weight of 198.19 g/mol. Its IUPAC name is [(2S,4R)-1-methyl-4-(trifluoromethoxy)pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2S,4R)-1-methyl-4-(trifluoromethoxy)pyrrolidin-2-yl]methanamine
PubChem CID175670742
Molecular FormulaC7H13F3N2O
Molecular Weight198.19 g/mol
Exact Mass198.10
IUPAC Name[(2S,4R)-1-methyl-4-(trifluoromethoxy)pyrrolidin-2-yl]methanamine
SMILESCN1C[C@H](OC(F)(F)F)C[C@H]1CN
InChIInChI=1S/C7H13F3N2O/c1-12-4-6(2-5(12)3-11)13-7(8,9)10/h5-6H,2-4,11H2,1H3/t5-,6+/m0/s1
InChIKeyKAJRRXPGWBKZHX-NTSWFWBYSA-N
XLogP0.55
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-1-methyl-4-(trifluoromethoxy)pyrrolidin-2-yl]methanamine?
The IUPAC name of [(2S,4R)-1-methyl-4-(trifluoromethoxy)pyrrolidin-2-yl]methanamine (CID 175670742) is [(2S,4R)-1-methyl-4-(trifluoromethoxy)pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [(2S,4R)-1-methyl-4-(trifluoromethoxy)pyrrolidin-2-yl]methanamine?
The canonical SMILES for [(2S,4R)-1-methyl-4-(trifluoromethoxy)pyrrolidin-2-yl]methanamine is CN1C[C@H](OC(F)(F)F)C[C@H]1CN.
What is the InChIKey of [(2S,4R)-1-methyl-4-(trifluoromethoxy)pyrrolidin-2-yl]methanamine?
The InChIKey is KAJRRXPGWBKZHX-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H13F3N2O/c1-12-4-6(2-5(12)3-11)13-7(8,9)10/h5-6H,2-4,11H2,1H3/t5-,6+/m0/s1.
What are the key properties of [(2S,4R)-1-methyl-4-(trifluoromethoxy)pyrrolidin-2-yl]methanamine?
[(2S,4R)-1-methyl-4-(trifluoromethoxy)pyrrolidin-2-yl]methanamine has a molecular weight of 198.19 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-1-methyl-4-(trifluoromethoxy)pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 175670742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).