(3R)-1-methyl-3-(trifluoromethoxy)pyrrolidine

C6H10F3NO — CID 118910993

IUPAC(3R)-1-methyl-3-(trifluoromethoxy)pyrrolidine
SMILESCN1CC[C@@H](OC(F)(F)F)C1
InChIInChI=1S/C6H10F3NO/c1-10-3-2-5(4-10)11-6(7,8)9/h5H,2-4H2,1H3/t5-/m1/s1
InChIKeySXPFHPMBBJPXBR-RXMQYKEDSA-N
MW169.15 g/mol
LogP1.23
Rot. Bonds1

About (3R)-1-methyl-3-(trifluoromethoxy)pyrrolidine

(3R)-1-methyl-3-(trifluoromethoxy)pyrrolidine (PubChem CID 118910993) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is (3R)-1-methyl-3-(trifluoromethoxy)pyrrolidine.

Molecular Properties

Compound Name(3R)-1-methyl-3-(trifluoromethoxy)pyrrolidine
PubChem CID118910993
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Name(3R)-1-methyl-3-(trifluoromethoxy)pyrrolidine
SMILESCN1CC[C@@H](OC(F)(F)F)C1
InChIInChI=1S/C6H10F3NO/c1-10-3-2-5(4-10)11-6(7,8)9/h5H,2-4H2,1H3/t5-/m1/s1
InChIKeySXPFHPMBBJPXBR-RXMQYKEDSA-N
XLogP1.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-methyl-3-(trifluoromethoxy)pyrrolidine?
The IUPAC name of (3R)-1-methyl-3-(trifluoromethoxy)pyrrolidine (CID 118910993) is (3R)-1-methyl-3-(trifluoromethoxy)pyrrolidine.
What is the SMILES notation for (3R)-1-methyl-3-(trifluoromethoxy)pyrrolidine?
The canonical SMILES for (3R)-1-methyl-3-(trifluoromethoxy)pyrrolidine is CN1CC[C@@H](OC(F)(F)F)C1.
What is the InChIKey of (3R)-1-methyl-3-(trifluoromethoxy)pyrrolidine?
The InChIKey is SXPFHPMBBJPXBR-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H10F3NO/c1-10-3-2-5(4-10)11-6(7,8)9/h5H,2-4H2,1H3/t5-/m1/s1.
What are the key properties of (3R)-1-methyl-3-(trifluoromethoxy)pyrrolidine?
(3R)-1-methyl-3-(trifluoromethoxy)pyrrolidine has a molecular weight of 169.15 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methyl-3-(trifluoromethoxy)pyrrolidine is sourced from PubChem (CID 118910993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).