2-methyl-3-(trifluoromethoxy)butane

C6H11F3O — CID 58300510

IUPAC2-methyl-3-(trifluoromethoxy)butane
SMILESCC(C)C(C)OC(F)(F)F
InChIInChI=1S/C6H11F3O/c1-4(2)5(3)10-6(7,8)9/h4-5H,1-3H3
InChIKeyNFRUVVMXTOHSGK-UHFFFAOYSA-N
MW156.15 g/mol
LogP2.57
Rot. Bonds2

About 2-methyl-3-(trifluoromethoxy)butane

2-methyl-3-(trifluoromethoxy)butane (PubChem CID 58300510) has the molecular formula C6H11F3O and a molecular weight of 156.15 g/mol. Its IUPAC name is 2-methyl-3-(trifluoromethoxy)butane.

Molecular Properties

Compound Name2-methyl-3-(trifluoromethoxy)butane
PubChem CID58300510
Molecular FormulaC6H11F3O
Molecular Weight156.15 g/mol
Exact Mass156.08
IUPAC Name2-methyl-3-(trifluoromethoxy)butane
SMILESCC(C)C(C)OC(F)(F)F
InChIInChI=1S/C6H11F3O/c1-4(2)5(3)10-6(7,8)9/h4-5H,1-3H3
InChIKeyNFRUVVMXTOHSGK-UHFFFAOYSA-N
XLogP2.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Fluoro-3-methoxy-2-methylbutane
CID 12700782
2-(Difluoromethoxy)propane
CID 14400534
1,1,1,2,4,4,4-Heptafluoro-3-methoxy-2-(trifluoromethyl)butane
CID 21732773
1,1,1-Trifluoro-2-methoxybutane
CID 20625795
1,1,1-Trifluoro-3-methoxy-2-methylpropane
CID 20746379
(4-Fluoro-3-methylbutan-2-yl) hypofluorite
CID 20802300
1,1,1-Trifluoro-2-methoxy-4-methylpentane
CID 23395519
1,1,1-Trifluoro-3-methoxybutane
CID 53948797
1,1,1-Trifluoro-4-methoxy-2-methylbutane
CID 54079436
1,1,4-Trifluoro-2-methoxybutane
CID 54469512
1,1,4-Trifluoro-3-methoxybutane
CID 54522075
1,3,3-Trifluoro-2-methoxybutane
CID 54540168

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(trifluoromethoxy)butane?
The IUPAC name of 2-methyl-3-(trifluoromethoxy)butane (CID 58300510) is 2-methyl-3-(trifluoromethoxy)butane.
What is the SMILES notation for 2-methyl-3-(trifluoromethoxy)butane?
The canonical SMILES for 2-methyl-3-(trifluoromethoxy)butane is CC(C)C(C)OC(F)(F)F.
What is the InChIKey of 2-methyl-3-(trifluoromethoxy)butane?
The InChIKey is NFRUVVMXTOHSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3O/c1-4(2)5(3)10-6(7,8)9/h4-5H,1-3H3.
What are the key properties of 2-methyl-3-(trifluoromethoxy)butane?
2-methyl-3-(trifluoromethoxy)butane has a molecular weight of 156.15 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(trifluoromethoxy)butane is sourced from PubChem (CID 58300510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).