1-methyl-1-[(2-methylpropan-2-yl)oxymethyl]-3-[2-methyl-2-(2,2,2-trifluoroethoxy)propyl]cyclobutane

C16H29F3O2 — CID 167289184

IUPAC1-methyl-1-[(2-methylpropan-2-yl)oxymethyl]-3-[2-methyl-2-(2,2,2-trifluoroethoxy)propyl]cyclobutane
SMILESCC1(COC(C)(C)C)CC(CC(C)(C)OCC(F)(F)F)C1
InChIInChI=1S/C16H29F3O2/c1-13(2,3)20-10-15(6)8-12(9-15)7-14(4,5)21-11-16(17,18)19/h12H,7-11H2,1-6H3
InChIKeyZXJDWSWAQIZONB-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.97
Rot. Bonds6

About 1-methyl-1-[(2-methylpropan-2-yl)oxymethyl]-3-[2-methyl-2-(2,2,2-trifluoroethoxy)propyl]cyclobutane

1-methyl-1-[(2-methylpropan-2-yl)oxymethyl]-3-[2-methyl-2-(2,2,2-trifluoroethoxy)propyl]cyclobutane (PubChem CID 167289184) has the molecular formula C16H29F3O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-methyl-1-[(2-methylpropan-2-yl)oxymethyl]-3-[2-methyl-2-(2,2,2-trifluoroethoxy)propyl]cyclobutane.

Molecular Properties

Compound Name1-methyl-1-[(2-methylpropan-2-yl)oxymethyl]-3-[2-methyl-2-(2,2,2-trifluoroethoxy)propyl]cyclobutane
PubChem CID167289184
Molecular FormulaC16H29F3O2
Molecular Weight310.40 g/mol
Exact Mass310.21
IUPAC Name1-methyl-1-[(2-methylpropan-2-yl)oxymethyl]-3-[2-methyl-2-(2,2,2-trifluoroethoxy)propyl]cyclobutane
SMILESCC1(COC(C)(C)C)CC(CC(C)(C)OCC(F)(F)F)C1
InChIInChI=1S/C16H29F3O2/c1-13(2,3)20-10-15(6)8-12(9-15)7-14(4,5)21-11-16(17,18)19/h12H,7-11H2,1-6H3
InChIKeyZXJDWSWAQIZONB-UHFFFAOYSA-N
XLogP4.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methyl-1-[(2-methylpropan-2-yl)oxymethyl]-3-[2-methyl-2-(2,2,2-trifluoroethoxy)propyl]cyclobutane with MolForge

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Related Compounds

2-methyl-2-(2,2,2-trifluoroethoxy)propane
CID 13351891
2,2-bis(2,2,2-trifluoroethoxy)propane
CID 18927635
1-ethyl-4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine
CID 58364990
3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxane
CID 171453937
(4R)-1,2,4-trimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 147300512
2-(2,2-difluoropropoxy)-2-methylpropane
CID 88885864
2,3-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]aziridine
CID 130440854
2,4,4-trimethyl-N-(2,2,2-trifluoroethoxy)cyclopentan-1-amine
CID 106662712
2-methyl-N-propyl-2-(2,2,2-trifluoroethoxy)propan-1-amine
CID 62355608
2-(2,2-dimethylpropyl)-1-fluoro-1-methylcyclopropane
CID 58247817
(1-cyclopropyl-2-methylpropan-2-yl) 2,2,2-trifluoroacetate
CID 149076499
(1R,4E,8S)-9-[2-(2-fluoro-2-methylpropoxy)-2-methylpropyl]bicyclo[6.1.0]non-4-ene
CID 154936640

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(2-methylpropan-2-yl)oxymethyl]-3-[2-methyl-2-(2,2,2-trifluoroethoxy)propyl]cyclobutane?
The IUPAC name of 1-methyl-1-[(2-methylpropan-2-yl)oxymethyl]-3-[2-methyl-2-(2,2,2-trifluoroethoxy)propyl]cyclobutane (CID 167289184) is 1-methyl-1-[(2-methylpropan-2-yl)oxymethyl]-3-[2-methyl-2-(2,2,2-trifluoroethoxy)propyl]cyclobutane.
What is the SMILES notation for 1-methyl-1-[(2-methylpropan-2-yl)oxymethyl]-3-[2-methyl-2-(2,2,2-trifluoroethoxy)propyl]cyclobutane?
The canonical SMILES for 1-methyl-1-[(2-methylpropan-2-yl)oxymethyl]-3-[2-methyl-2-(2,2,2-trifluoroethoxy)propyl]cyclobutane is CC1(COC(C)(C)C)CC(CC(C)(C)OCC(F)(F)F)C1.
What is the InChIKey of 1-methyl-1-[(2-methylpropan-2-yl)oxymethyl]-3-[2-methyl-2-(2,2,2-trifluoroethoxy)propyl]cyclobutane?
The InChIKey is ZXJDWSWAQIZONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29F3O2/c1-13(2,3)20-10-15(6)8-12(9-15)7-14(4,5)21-11-16(17,18)19/h12H,7-11H2,1-6H3.
What are the key properties of 1-methyl-1-[(2-methylpropan-2-yl)oxymethyl]-3-[2-methyl-2-(2,2,2-trifluoroethoxy)propyl]cyclobutane?
1-methyl-1-[(2-methylpropan-2-yl)oxymethyl]-3-[2-methyl-2-(2,2,2-trifluoroethoxy)propyl]cyclobutane has a molecular weight of 310.40 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(2-methylpropan-2-yl)oxymethyl]-3-[2-methyl-2-(2,2,2-trifluoroethoxy)propyl]cyclobutane is sourced from PubChem (CID 167289184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).