1-fluoro-2-methyl-2-(trifluoromethoxy)propane

C5H8F4O — CID 58362313

IUPAC1-fluoro-2-methyl-2-(trifluoromethoxy)propane
SMILESCC(C)(CF)OC(F)(F)F
InChIInChI=1S/C5H8F4O/c1-4(2,3-6)10-5(7,8)9/h3H2,1-2H3
InChIKeyJDUUZWASPKSKRR-UHFFFAOYSA-N
MW160.11 g/mol
LogP2.27
Rot. Bonds2

About 1-fluoro-2-methyl-2-(trifluoromethoxy)propane

1-fluoro-2-methyl-2-(trifluoromethoxy)propane (PubChem CID 58362313) has the molecular formula C5H8F4O and a molecular weight of 160.11 g/mol. Its IUPAC name is 1-fluoro-2-methyl-2-(trifluoromethoxy)propane.

Molecular Properties

Compound Name1-fluoro-2-methyl-2-(trifluoromethoxy)propane
PubChem CID58362313
Molecular FormulaC5H8F4O
Molecular Weight160.11 g/mol
Exact Mass160.05
IUPAC Name1-fluoro-2-methyl-2-(trifluoromethoxy)propane
SMILESCC(C)(CF)OC(F)(F)F
InChIInChI=1S/C5H8F4O/c1-4(2,3-6)10-5(7,8)9/h3H2,1-2H3
InChIKeyJDUUZWASPKSKRR-UHFFFAOYSA-N
XLogP2.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.11
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methyl-2-(trifluoromethoxy)propane?
The IUPAC name of 1-fluoro-2-methyl-2-(trifluoromethoxy)propane (CID 58362313) is 1-fluoro-2-methyl-2-(trifluoromethoxy)propane.
What is the SMILES notation for 1-fluoro-2-methyl-2-(trifluoromethoxy)propane?
The canonical SMILES for 1-fluoro-2-methyl-2-(trifluoromethoxy)propane is CC(C)(CF)OC(F)(F)F.
What is the InChIKey of 1-fluoro-2-methyl-2-(trifluoromethoxy)propane?
The InChIKey is JDUUZWASPKSKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F4O/c1-4(2,3-6)10-5(7,8)9/h3H2,1-2H3.
What are the key properties of 1-fluoro-2-methyl-2-(trifluoromethoxy)propane?
1-fluoro-2-methyl-2-(trifluoromethoxy)propane has a molecular weight of 160.11 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methyl-2-(trifluoromethoxy)propane is sourced from PubChem (CID 58362313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).