2-butoxy-5-fluoro-2-methyl-5-(1,1,1-trifluoropropan-2-yl)oxolane

C12H20F4O2 — CID 59010356

IUPAC2-butoxy-5-fluoro-2-methyl-5-(1,1,1-trifluoropropan-2-yl)oxolane
SMILESCCCCOC1(C)CCC(F)(C(C)C(F)(F)F)O1
InChIInChI=1S/C12H20F4O2/c1-4-5-8-17-10(3)6-7-11(13,18-10)9(2)12(14,15)16/h9H,4-8H2,1-3H3
InChIKeyKXHFSMGVPFDUHU-UHFFFAOYSA-N
MW272.28 g/mol
LogP4.19
Rot. Bonds5

About 2-butoxy-5-fluoro-2-methyl-5-(1,1,1-trifluoropropan-2-yl)oxolane

2-butoxy-5-fluoro-2-methyl-5-(1,1,1-trifluoropropan-2-yl)oxolane (PubChem CID 59010356) has the molecular formula C12H20F4O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is 2-butoxy-5-fluoro-2-methyl-5-(1,1,1-trifluoropropan-2-yl)oxolane.

Molecular Properties

Compound Name2-butoxy-5-fluoro-2-methyl-5-(1,1,1-trifluoropropan-2-yl)oxolane
PubChem CID59010356
Molecular FormulaC12H20F4O2
Molecular Weight272.28 g/mol
Exact Mass272.14
IUPAC Name2-butoxy-5-fluoro-2-methyl-5-(1,1,1-trifluoropropan-2-yl)oxolane
SMILESCCCCOC1(C)CCC(F)(C(C)C(F)(F)F)O1
InChIInChI=1S/C12H20F4O2/c1-4-5-8-17-10(3)6-7-11(13,18-10)9(2)12(14,15)16/h9H,4-8H2,1-3H3
InChIKeyKXHFSMGVPFDUHU-UHFFFAOYSA-N
XLogP4.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-butoxy-5-fluoro-2-methyl-5-(1,1,1-trifluoropropan-2-yl)oxolane 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

2-Ethoxy-3,3,4,4,5-pentafluoro-2,5-bis[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]tetrahydrofuran
CID 44224734
(6R)-6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undecane
CID 90239071
2-(2-Butyl-3,3,4,4,5,5,6,6,6-nonafluorohexoxy)oxolane
CID 18927678
2-Ethoxy-3,3,4,4,5,5-hexafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxolane
CID 58212203
2-Ethoxy-5-fluoro-2-methyl-5-(1,1,1-trifluoropropan-2-yl)oxolane
CID 59010318
2-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-2-[3-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)oxolan-2-yl]oxypropoxy]-5-methyl-4-(trifluoromethyl)oxolane
CID 59010321
2-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-2-[3-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxolan-2-yl]oxypropoxy]-5-methyloxolane
CID 59010326
5-Ethoxy-5-ethyl-2-fluoro-3-methyl-2-(1,1,1-trifluoropropan-2-yl)oxolane
CID 59010327
2-Ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4,5-dimethyloxolane
CID 59010348
2,3,3,4,4-Pentafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-5-[3-[3,3,4,4,5-pentafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyloxolan-2-yl]oxypropoxy]oxolane
CID 59010354
2-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-5-methyl-2-[2,2,3,3-tetrafluoro-4-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxolan-2-yl]oxybutoxy]oxolane
CID 59010355
2-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-4,5-dimethyl-2-propoxyoxolane
CID 59010358

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-5-fluoro-2-methyl-5-(1,1,1-trifluoropropan-2-yl)oxolane?
The IUPAC name of 2-butoxy-5-fluoro-2-methyl-5-(1,1,1-trifluoropropan-2-yl)oxolane (CID 59010356) is 2-butoxy-5-fluoro-2-methyl-5-(1,1,1-trifluoropropan-2-yl)oxolane.
What is the SMILES notation for 2-butoxy-5-fluoro-2-methyl-5-(1,1,1-trifluoropropan-2-yl)oxolane?
The canonical SMILES for 2-butoxy-5-fluoro-2-methyl-5-(1,1,1-trifluoropropan-2-yl)oxolane is CCCCOC1(C)CCC(F)(C(C)C(F)(F)F)O1.
What is the InChIKey of 2-butoxy-5-fluoro-2-methyl-5-(1,1,1-trifluoropropan-2-yl)oxolane?
The InChIKey is KXHFSMGVPFDUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F4O2/c1-4-5-8-17-10(3)6-7-11(13,18-10)9(2)12(14,15)16/h9H,4-8H2,1-3H3.
What are the key properties of 2-butoxy-5-fluoro-2-methyl-5-(1,1,1-trifluoropropan-2-yl)oxolane?
2-butoxy-5-fluoro-2-methyl-5-(1,1,1-trifluoropropan-2-yl)oxolane has a molecular weight of 272.28 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-5-fluoro-2-methyl-5-(1,1,1-trifluoropropan-2-yl)oxolane is sourced from PubChem (CID 59010356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).