2-methyl-1-(2,2,2-trifluoroethoxy)propan-2-ol

C6H11F3O2 — CID 53429720

IUPAC2-methyl-1-(2,2,2-trifluoroethoxy)propan-2-ol
SMILESCC(C)(O)COCC(F)(F)F
InChIInChI=1S/C6H11F3O2/c1-5(2,10)3-11-4-6(7,8)9/h10H,3-4H2,1-2H3
InChIKeyLKZMLQCGRZKMFU-UHFFFAOYSA-N
MW172.15 g/mol
LogP1.34
Rot. Bonds3

About 2-methyl-1-(2,2,2-trifluoroethoxy)propan-2-ol

2-methyl-1-(2,2,2-trifluoroethoxy)propan-2-ol (PubChem CID 53429720) has the molecular formula C6H11F3O2 and a molecular weight of 172.15 g/mol. Its IUPAC name is 2-methyl-1-(2,2,2-trifluoroethoxy)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(2,2,2-trifluoroethoxy)propan-2-ol
PubChem CID53429720
Molecular FormulaC6H11F3O2
Molecular Weight172.15 g/mol
Exact Mass172.07
IUPAC Name2-methyl-1-(2,2,2-trifluoroethoxy)propan-2-ol
SMILESCC(C)(O)COCC(F)(F)F
InChIInChI=1S/C6H11F3O2/c1-5(2,10)3-11-4-6(7,8)9/h10H,3-4H2,1-2H3
InChIKeyLKZMLQCGRZKMFU-UHFFFAOYSA-N
XLogP1.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.15
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,2,2-trifluoroethoxy)propan-2-ol?
The IUPAC name of 2-methyl-1-(2,2,2-trifluoroethoxy)propan-2-ol (CID 53429720) is 2-methyl-1-(2,2,2-trifluoroethoxy)propan-2-ol.
What is the SMILES notation for 2-methyl-1-(2,2,2-trifluoroethoxy)propan-2-ol?
The canonical SMILES for 2-methyl-1-(2,2,2-trifluoroethoxy)propan-2-ol is CC(C)(O)COCC(F)(F)F.
What is the InChIKey of 2-methyl-1-(2,2,2-trifluoroethoxy)propan-2-ol?
The InChIKey is LKZMLQCGRZKMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3O2/c1-5(2,10)3-11-4-6(7,8)9/h10H,3-4H2,1-2H3.
What are the key properties of 2-methyl-1-(2,2,2-trifluoroethoxy)propan-2-ol?
2-methyl-1-(2,2,2-trifluoroethoxy)propan-2-ol has a molecular weight of 172.15 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,2,2-trifluoroethoxy)propan-2-ol is sourced from PubChem (CID 53429720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).