(3R)-1,2,2-trimethyl-3-(trifluoromethoxy)pyrrolidine

C8H14F3NO — CID 166870121

IUPAC(3R)-1,2,2-trimethyl-3-(trifluoromethoxy)pyrrolidine
SMILESCN1CC[C@@H](OC(F)(F)F)C1(C)C
InChIInChI=1S/C8H14F3NO/c1-7(2)6(4-5-12(7)3)13-8(9,10)11/h6H,4-5H2,1-3H3/t6-/m1/s1
InChIKeyGVMTVNMNSFUTGF-ZCFIWIBFSA-N
MW197.20 g/mol
LogP2.01
Rot. Bonds1

About (3R)-1,2,2-trimethyl-3-(trifluoromethoxy)pyrrolidine

(3R)-1,2,2-trimethyl-3-(trifluoromethoxy)pyrrolidine (PubChem CID 166870121) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is (3R)-1,2,2-trimethyl-3-(trifluoromethoxy)pyrrolidine.

Molecular Properties

Compound Name(3R)-1,2,2-trimethyl-3-(trifluoromethoxy)pyrrolidine
PubChem CID166870121
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name(3R)-1,2,2-trimethyl-3-(trifluoromethoxy)pyrrolidine
SMILESCN1CC[C@@H](OC(F)(F)F)C1(C)C
InChIInChI=1S/C8H14F3NO/c1-7(2)6(4-5-12(7)3)13-8(9,10)11/h6H,4-5H2,1-3H3/t6-/m1/s1
InChIKeyGVMTVNMNSFUTGF-ZCFIWIBFSA-N
XLogP2.01
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S)-4-(difluoromethoxy)-1,2-di(propan-2-yl)pyrrolidine
CID 59611228
(4S)-4-(difluoromethoxy)-1,2-di(propan-2-yl)pyrrolidine
CID 68089704
(2S,4S)-1,2-di(propan-2-yl)-4-(2,2,2-trifluoroethoxy)pyrrolidine
CID 68089705
(2S,4S)-4-(difluoromethoxy)-1-methyl-2-propan-2-ylpyrrolidine
CID 89094451
(2R,4S)-4-(difluoromethoxy)-1,2-dimethylpyrrolidine
CID 89595707
(4S)-1,2-dimethyl-4-(2,2,2-trifluoroethoxy)pyrrolidine
CID 89595711
(2R,4S)-1,2-dimethyl-4-(2,2,2-trifluoroethoxy)pyrrolidine
CID 89887889
(2R)-4-(2,2-difluoroethoxy)-1,2-dimethylpyrrolidine
CID 89945475
(2R)-1,2-dimethyl-4-(2,2,2-trifluoroethoxy)pyrrolidine
CID 89945562
(4S)-4-(difluoromethoxy)-1,2-dimethylpyrrolidine
CID 118569362
3-(Difluoromethoxy)-1-propan-2-ylpyrrolidine
CID 130637346
(3R)-3-(difluoromethoxy)-1-propan-2-ylpyrrolidine
CID 130669837

Frequently Asked Questions

What is the IUPAC name of (3R)-1,2,2-trimethyl-3-(trifluoromethoxy)pyrrolidine?
The IUPAC name of (3R)-1,2,2-trimethyl-3-(trifluoromethoxy)pyrrolidine (CID 166870121) is (3R)-1,2,2-trimethyl-3-(trifluoromethoxy)pyrrolidine.
What is the SMILES notation for (3R)-1,2,2-trimethyl-3-(trifluoromethoxy)pyrrolidine?
The canonical SMILES for (3R)-1,2,2-trimethyl-3-(trifluoromethoxy)pyrrolidine is CN1CC[C@@H](OC(F)(F)F)C1(C)C.
What is the InChIKey of (3R)-1,2,2-trimethyl-3-(trifluoromethoxy)pyrrolidine?
The InChIKey is GVMTVNMNSFUTGF-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-7(2)6(4-5-12(7)3)13-8(9,10)11/h6H,4-5H2,1-3H3/t6-/m1/s1.
What are the key properties of (3R)-1,2,2-trimethyl-3-(trifluoromethoxy)pyrrolidine?
(3R)-1,2,2-trimethyl-3-(trifluoromethoxy)pyrrolidine has a molecular weight of 197.20 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,2,2-trimethyl-3-(trifluoromethoxy)pyrrolidine is sourced from PubChem (CID 166870121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).