(2R)-4,4-difluoro-2-(methoxymethyl)pyrrolidine;2,2,2-trifluoroacetic acid

C8H12F5NO3 — CID 118295093

IUPAC(2R)-4,4-difluoro-2-(methoxymethyl)pyrrolidine;2,2,2-trifluoroacetic acid
SMILESCOC[C@H]1CC(F)(F)CN1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H11F2NO.C2HF3O2/c1-10-3-5-2-6(7,8)4-9-5;3-2(4,5)1(6)7/h5,9H,2-4H2,1H3;(H,6,7)/t5-;/m1./s1
InChIKeyHNCVCWNMWYUFHY-NUBCRITNSA-N
MW265.18 g/mol
LogP1.26
Rot. Bonds2

About (2R)-4,4-difluoro-2-(methoxymethyl)pyrrolidine;2,2,2-trifluoroacetic acid

(2R)-4,4-difluoro-2-(methoxymethyl)pyrrolidine;2,2,2-trifluoroacetic acid (PubChem CID 118295093) has the molecular formula C8H12F5NO3 and a molecular weight of 265.18 g/mol. Its IUPAC name is (2R)-4,4-difluoro-2-(methoxymethyl)pyrrolidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2R)-4,4-difluoro-2-(methoxymethyl)pyrrolidine;2,2,2-trifluoroacetic acid
PubChem CID118295093
Molecular FormulaC8H12F5NO3
Molecular Weight265.18 g/mol
Exact Mass265.07
IUPAC Name(2R)-4,4-difluoro-2-(methoxymethyl)pyrrolidine;2,2,2-trifluoroacetic acid
SMILESCOC[C@H]1CC(F)(F)CN1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H11F2NO.C2HF3O2/c1-10-3-5-2-6(7,8)4-9-5;3-2(4,5)1(6)7/h5,9H,2-4H2,1H3;(H,6,7)/t5-;/m1./s1
InChIKeyHNCVCWNMWYUFHY-NUBCRITNSA-N
XLogP1.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.18
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-4,4-difluoro-2-(methoxymethyl)pyrrolidine;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4-Difluoro-L-proline methyl ester trifluoroacetate
CID 66854975
methyl (4S)-4-fluoro-L-prolinate trifluoroacetate
CID 67429745
1-[(2R)-4,4-difluoropyrrolidin-2-yl]ethanol;2,2,2-trifluoroacetic acid
CID 118294824
1-[(2R)-4,4-difluoropyrrolidin-2-yl]ethyl 2,2,2-trifluoroacetate
CID 118294827
2-Oxa-5-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 131731278
4-[(2R)-4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]piperidine;2,2,2-trifluoroacetic acid
CID 135144870
[1-[(2R)-4,4-difluoropyrrolidin-2-yl]-1-hydroxyethyl] 2,2,2-trifluoroacetate
CID 140765998
(2S)-2-(cyclopropylmethoxymethyl)pyrrolidine;2,2,2-trifluoroacetic acid
CID 143059711
[(2R)-4,4-difluoropyrrolidin-2-yl]methanol;2,2,2-trifluoroacetic acid
CID 146310865
[(2R)-4,4-difluoropyrrolidin-2-yl]methyl 2,2,2-trifluoroacetate
CID 146310866
Ethyl 2-[(4,4-difluoropyrrolidin-2-yl)methoxy]acetate
CID 153412188
(2S)-3-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]-2-methylpropanoic acid
CID 154936293

Frequently Asked Questions

What is the IUPAC name of (2R)-4,4-difluoro-2-(methoxymethyl)pyrrolidine;2,2,2-trifluoroacetic acid?
The IUPAC name of (2R)-4,4-difluoro-2-(methoxymethyl)pyrrolidine;2,2,2-trifluoroacetic acid (CID 118295093) is (2R)-4,4-difluoro-2-(methoxymethyl)pyrrolidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2R)-4,4-difluoro-2-(methoxymethyl)pyrrolidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2R)-4,4-difluoro-2-(methoxymethyl)pyrrolidine;2,2,2-trifluoroacetic acid is COC[C@H]1CC(F)(F)CN1.O=C(O)C(F)(F)F.
What is the InChIKey of (2R)-4,4-difluoro-2-(methoxymethyl)pyrrolidine;2,2,2-trifluoroacetic acid?
The InChIKey is HNCVCWNMWYUFHY-NUBCRITNSA-N. The full InChI is InChI=1S/C6H11F2NO.C2HF3O2/c1-10-3-5-2-6(7,8)4-9-5;3-2(4,5)1(6)7/h5,9H,2-4H2,1H3;(H,6,7)/t5-;/m1./s1.
What are the key properties of (2R)-4,4-difluoro-2-(methoxymethyl)pyrrolidine;2,2,2-trifluoroacetic acid?
(2R)-4,4-difluoro-2-(methoxymethyl)pyrrolidine;2,2,2-trifluoroacetic acid has a molecular weight of 265.18 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4,4-difluoro-2-(methoxymethyl)pyrrolidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118295093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).