[(2S,5R)-4,4-difluoro-5-methyloxolan-2-yl]methyl-trimethylazanium

C9H18F2NO+ — CID 10495976

IUPAC[(2S,5R)-4,4-difluoro-5-methyloxolan-2-yl]methyl-trimethylazanium
SMILESC[C@H]1O[C@H](C[N+](C)(C)C)CC1(F)F
InChIInChI=1S/C9H18F2NO/c1-7-9(10,11)5-8(13-7)6-12(2,3)4/h7-8H,5-6H2,1-4H3/q+1/t7-,8+/m1/s1
InChIKeyRUKBLCOATYQEGP-SFYZADRCSA-N
MW194.25 g/mol
LogP1.51
Rot. Bonds2

About [(2S,5R)-4,4-difluoro-5-methyloxolan-2-yl]methyl-trimethylazanium

[(2S,5R)-4,4-difluoro-5-methyloxolan-2-yl]methyl-trimethylazanium (PubChem CID 10495976) has the molecular formula C9H18F2NO+ and a molecular weight of 194.25 g/mol. Its IUPAC name is [(2S,5R)-4,4-difluoro-5-methyloxolan-2-yl]methyl-trimethylazanium.

Molecular Properties

Compound Name[(2S,5R)-4,4-difluoro-5-methyloxolan-2-yl]methyl-trimethylazanium
PubChem CID10495976
Molecular FormulaC9H18F2NO+
Molecular Weight194.25 g/mol
Exact Mass194.14
IUPAC Name[(2S,5R)-4,4-difluoro-5-methyloxolan-2-yl]methyl-trimethylazanium
SMILESC[C@H]1O[C@H](C[N+](C)(C)C)CC1(F)F
InChIInChI=1S/C9H18F2NO/c1-7-9(10,11)5-8(13-7)6-12(2,3)4/h7-8H,5-6H2,1-4H3/q+1/t7-,8+/m1/s1
InChIKeyRUKBLCOATYQEGP-SFYZADRCSA-N
XLogP1.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze [(2S,5R)-4,4-difluoro-5-methyloxolan-2-yl]methyl-trimethylazanium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-4,4-difluoro-5-methyloxolan-2-yl]methyl-trimethylazanium?
The IUPAC name of [(2S,5R)-4,4-difluoro-5-methyloxolan-2-yl]methyl-trimethylazanium (CID 10495976) is [(2S,5R)-4,4-difluoro-5-methyloxolan-2-yl]methyl-trimethylazanium.
What is the SMILES notation for [(2S,5R)-4,4-difluoro-5-methyloxolan-2-yl]methyl-trimethylazanium?
The canonical SMILES for [(2S,5R)-4,4-difluoro-5-methyloxolan-2-yl]methyl-trimethylazanium is C[C@H]1O[C@H](C[N+](C)(C)C)CC1(F)F.
What is the InChIKey of [(2S,5R)-4,4-difluoro-5-methyloxolan-2-yl]methyl-trimethylazanium?
The InChIKey is RUKBLCOATYQEGP-SFYZADRCSA-N. The full InChI is InChI=1S/C9H18F2NO/c1-7-9(10,11)5-8(13-7)6-12(2,3)4/h7-8H,5-6H2,1-4H3/q+1/t7-,8+/m1/s1.
What are the key properties of [(2S,5R)-4,4-difluoro-5-methyloxolan-2-yl]methyl-trimethylazanium?
[(2S,5R)-4,4-difluoro-5-methyloxolan-2-yl]methyl-trimethylazanium has a molecular weight of 194.25 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-4,4-difluoro-5-methyloxolan-2-yl]methyl-trimethylazanium is sourced from PubChem (CID 10495976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).