trifluoro-[(2S)-2-(1-methoxyethyl)pyrrolidin-1-yl]-λ4-sulfane

C7H14F3NOS — CID 87879591

IUPACtrifluoro-[(2S)-2-(1-methoxyethyl)pyrrolidin-1-yl]-λ4-sulfane
SMILESCOC(C)[C@@H]1CCCN1S(F)(F)F
InChIInChI=1S/C7H14F3NOS/c1-6(12-2)7-4-3-5-11(7)13(8,9)10/h6-7H,3-5H2,1-2H3/t6?,7-/m0/s1
InChIKeyVQHWXRFYTWIPIH-MLWJPKLSSA-N
MW217.26 g/mol
LogP2.86
Rot. Bonds3

About trifluoro-[(2S)-2-(1-methoxyethyl)pyrrolidin-1-yl]-λ4-sulfane

trifluoro-[(2S)-2-(1-methoxyethyl)pyrrolidin-1-yl]-λ4-sulfane (PubChem CID 87879591) has the molecular formula C7H14F3NOS and a molecular weight of 217.26 g/mol. Its IUPAC name is trifluoro-[(2S)-2-(1-methoxyethyl)pyrrolidin-1-yl]-λ4-sulfane.

Molecular Properties

Compound Nametrifluoro-[(2S)-2-(1-methoxyethyl)pyrrolidin-1-yl]-λ4-sulfane
PubChem CID87879591
Molecular FormulaC7H14F3NOS
Molecular Weight217.26 g/mol
Exact Mass217.07
IUPAC Nametrifluoro-[(2S)-2-(1-methoxyethyl)pyrrolidin-1-yl]-λ4-sulfane
SMILESCOC(C)[C@@H]1CCCN1S(F)(F)F
InChIInChI=1S/C7H14F3NOS/c1-6(12-2)7-4-3-5-11(7)13(8,9)10/h6-7H,3-5H2,1-2H3/t6?,7-/m0/s1
InChIKeyVQHWXRFYTWIPIH-MLWJPKLSSA-N
XLogP2.86
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze trifluoro-[(2S)-2-(1-methoxyethyl)pyrrolidin-1-yl]-λ4-sulfane 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

C6H12F3Nos
CID 14508470
Trifluoro-[2-(methoxymethyl)pyrrolidin-1-yl]-lambda4-sulfane
CID 10130425
(2S)-2-[ethoxy(difluoro)methyl]pyrrolidine-1-sulfinyl fluoride
CID 132541094
Sulfur, trifluoro[(2S)-2-(methoxymethyl)pyrrolidinato-degrees UN]-, (T-4)-
CID 178256337
2-(Methoxymethyl)-1-sulfanylpyrrolidine
CID 21200710
(2S)-2-(methoxymethyl)-1-sulfanylpyrrolidine
CID 134597084
2-(Methoxymethyl)-1-sulfanylpyrrolidine;trihydrofluoride
CID 173182044
2-(1-Methoxyethyl)-1-sulfanylpyrrolidine;trihydrofluoride
CID 173284091
2-(1-Methoxyethyl)-1-sulfanylpyrrolidine
CID 22002675

Frequently Asked Questions

What is the IUPAC name of trifluoro-[(2S)-2-(1-methoxyethyl)pyrrolidin-1-yl]-λ4-sulfane?
The IUPAC name of trifluoro-[(2S)-2-(1-methoxyethyl)pyrrolidin-1-yl]-λ4-sulfane (CID 87879591) is trifluoro-[(2S)-2-(1-methoxyethyl)pyrrolidin-1-yl]-λ4-sulfane.
What is the SMILES notation for trifluoro-[(2S)-2-(1-methoxyethyl)pyrrolidin-1-yl]-λ4-sulfane?
The canonical SMILES for trifluoro-[(2S)-2-(1-methoxyethyl)pyrrolidin-1-yl]-λ4-sulfane is COC(C)[C@@H]1CCCN1S(F)(F)F.
What is the InChIKey of trifluoro-[(2S)-2-(1-methoxyethyl)pyrrolidin-1-yl]-λ4-sulfane?
The InChIKey is VQHWXRFYTWIPIH-MLWJPKLSSA-N. The full InChI is InChI=1S/C7H14F3NOS/c1-6(12-2)7-4-3-5-11(7)13(8,9)10/h6-7H,3-5H2,1-2H3/t6?,7-/m0/s1.
What are the key properties of trifluoro-[(2S)-2-(1-methoxyethyl)pyrrolidin-1-yl]-λ4-sulfane?
trifluoro-[(2S)-2-(1-methoxyethyl)pyrrolidin-1-yl]-λ4-sulfane has a molecular weight of 217.26 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[(2S)-2-(1-methoxyethyl)pyrrolidin-1-yl]-λ4-sulfane is sourced from PubChem (CID 87879591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).