(3S)-3-(methoxymethyl)-3-(trifluoromethyl)pyrrolidine

C7H12F3NO — CID 129494946

IUPAC(3S)-3-(methoxymethyl)-3-(trifluoromethyl)pyrrolidine
SMILESCOC[C@]1(C(F)(F)F)CCNC1
InChIInChI=1S/C7H12F3NO/c1-12-5-6(7(8,9)10)2-3-11-4-6/h11H,2-5H2,1H3/t6-/m0/s1
InChIKeyABNKBKOXIMMSSN-LURJTMIESA-N
MW183.17 g/mol
LogP1.17
Rot. Bonds2

About (3S)-3-(methoxymethyl)-3-(trifluoromethyl)pyrrolidine

(3S)-3-(methoxymethyl)-3-(trifluoromethyl)pyrrolidine (PubChem CID 129494946) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is (3S)-3-(methoxymethyl)-3-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name(3S)-3-(methoxymethyl)-3-(trifluoromethyl)pyrrolidine
PubChem CID129494946
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name(3S)-3-(methoxymethyl)-3-(trifluoromethyl)pyrrolidine
SMILESCOC[C@]1(C(F)(F)F)CCNC1
InChIInChI=1S/C7H12F3NO/c1-12-5-6(7(8,9)10)2-3-11-4-6/h11H,2-5H2,1H3/t6-/m0/s1
InChIKeyABNKBKOXIMMSSN-LURJTMIESA-N
XLogP1.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-(Trifluoromethyl)pyrrolidin-3-yl)methanol hydrochloride
CID 53414538
3-(Methoxymethyl)-3-methylpyrrolidine hydrochloride
CID 67343930
3-[(Difluoromethoxy)methyl]pyrrolidine
CID 84716441
[3-(Trifluoromethyl)pyrrolidin-3-yl]methanol
CID 53414539
3-(Methoxymethyl)-3-methylpyrrolidine
CID 59540797
3-(Trifluoromethoxymethyl)pyrrolidine
CID 86812441
3-(Ethylperoxymethyl)-3-(fluoromethyl)pyrrolidine
CID 88891893
3-(Ethoxymethyl)-3-fluoropyrrolidine
CID 90165371
(3S)-3-[fluoro(methoxy)methyl]pyrrolidine
CID 91449518
(3R)-3-(trifluoromethoxymethyl)pyrrolidine
CID 98041316
(3S)-3-(trifluoromethoxymethyl)pyrrolidine
CID 98041317
3-Fluoro-3-(methoxymethyl)pyrrolidine
CID 112564308

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(methoxymethyl)-3-(trifluoromethyl)pyrrolidine?
The IUPAC name of (3S)-3-(methoxymethyl)-3-(trifluoromethyl)pyrrolidine (CID 129494946) is (3S)-3-(methoxymethyl)-3-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for (3S)-3-(methoxymethyl)-3-(trifluoromethyl)pyrrolidine?
The canonical SMILES for (3S)-3-(methoxymethyl)-3-(trifluoromethyl)pyrrolidine is COC[C@]1(C(F)(F)F)CCNC1.
What is the InChIKey of (3S)-3-(methoxymethyl)-3-(trifluoromethyl)pyrrolidine?
The InChIKey is ABNKBKOXIMMSSN-LURJTMIESA-N. The full InChI is InChI=1S/C7H12F3NO/c1-12-5-6(7(8,9)10)2-3-11-4-6/h11H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of (3S)-3-(methoxymethyl)-3-(trifluoromethyl)pyrrolidine?
(3S)-3-(methoxymethyl)-3-(trifluoromethyl)pyrrolidine has a molecular weight of 183.17 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(methoxymethyl)-3-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 129494946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).