[2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methanol

C11H19F3O3 — CID 114535537

IUPAC[2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methanol
SMILESCC1OCCC1(CO)CCCOCC(F)(F)F
InChIInChI=1S/C11H19F3O3/c1-9-10(7-15,4-6-17-9)3-2-5-16-8-11(12,13)14/h9,15H,2-8H2,1H3
InChIKeyFKIGIKSEAQNZHZ-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.13
Rot. Bonds6

About [2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methanol

[2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methanol (PubChem CID 114535537) has the molecular formula C11H19F3O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is [2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methanol.

Molecular Properties

Compound Name[2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methanol
PubChem CID114535537
Molecular FormulaC11H19F3O3
Molecular Weight256.26 g/mol
Exact Mass256.13
IUPAC Name[2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methanol
SMILESCC1OCCC1(CO)CCCOCC(F)(F)F
InChIInChI=1S/C11H19F3O3/c1-9-10(7-15,4-6-17-9)3-2-5-16-8-11(12,13)14/h9,15H,2-8H2,1H3
InChIKeyFKIGIKSEAQNZHZ-UHFFFAOYSA-N
XLogP2.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methanol 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 [2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methanol?
The IUPAC name of [2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methanol (CID 114535537) is [2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methanol.
What is the SMILES notation for [2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methanol?
The canonical SMILES for [2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methanol is CC1OCCC1(CO)CCCOCC(F)(F)F.
What is the InChIKey of [2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methanol?
The InChIKey is FKIGIKSEAQNZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3O3/c1-9-10(7-15,4-6-17-9)3-2-5-16-8-11(12,13)14/h9,15H,2-8H2,1H3.
What are the key properties of [2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methanol?
[2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methanol has a molecular weight of 256.26 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methanol is sourced from PubChem (CID 114535537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).