2,4,4-trimethyl-5-(2,2,2-trifluoroethoxy)pentan-2-ol

C10H19F3O2 — CID 88607558

IUPAC2,4,4-trimethyl-5-(2,2,2-trifluoroethoxy)pentan-2-ol
SMILESCC(C)(O)CC(C)(C)COCC(F)(F)F
InChIInChI=1S/C10H19F3O2/c1-8(2,5-9(3,4)14)6-15-7-10(11,12)13/h14H,5-7H2,1-4H3
InChIKeyNJZPZDGSGVDCJJ-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.75
Rot. Bonds5

About 2,4,4-trimethyl-5-(2,2,2-trifluoroethoxy)pentan-2-ol

2,4,4-trimethyl-5-(2,2,2-trifluoroethoxy)pentan-2-ol (PubChem CID 88607558) has the molecular formula C10H19F3O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2,4,4-trimethyl-5-(2,2,2-trifluoroethoxy)pentan-2-ol.

Molecular Properties

Compound Name2,4,4-trimethyl-5-(2,2,2-trifluoroethoxy)pentan-2-ol
PubChem CID88607558
Molecular FormulaC10H19F3O2
Molecular Weight228.25 g/mol
Exact Mass228.13
IUPAC Name2,4,4-trimethyl-5-(2,2,2-trifluoroethoxy)pentan-2-ol
SMILESCC(C)(O)CC(C)(C)COCC(F)(F)F
InChIInChI=1S/C10H19F3O2/c1-8(2,5-9(3,4)14)6-15-7-10(11,12)13/h14H,5-7H2,1-4H3
InChIKeyNJZPZDGSGVDCJJ-UHFFFAOYSA-N
XLogP2.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-5-(2,2,2-trifluoroethoxy)pentan-2-ol?
The IUPAC name of 2,4,4-trimethyl-5-(2,2,2-trifluoroethoxy)pentan-2-ol (CID 88607558) is 2,4,4-trimethyl-5-(2,2,2-trifluoroethoxy)pentan-2-ol.
What is the SMILES notation for 2,4,4-trimethyl-5-(2,2,2-trifluoroethoxy)pentan-2-ol?
The canonical SMILES for 2,4,4-trimethyl-5-(2,2,2-trifluoroethoxy)pentan-2-ol is CC(C)(O)CC(C)(C)COCC(F)(F)F.
What is the InChIKey of 2,4,4-trimethyl-5-(2,2,2-trifluoroethoxy)pentan-2-ol?
The InChIKey is NJZPZDGSGVDCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3O2/c1-8(2,5-9(3,4)14)6-15-7-10(11,12)13/h14H,5-7H2,1-4H3.
What are the key properties of 2,4,4-trimethyl-5-(2,2,2-trifluoroethoxy)pentan-2-ol?
2,4,4-trimethyl-5-(2,2,2-trifluoroethoxy)pentan-2-ol has a molecular weight of 228.25 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-5-(2,2,2-trifluoroethoxy)pentan-2-ol is sourced from PubChem (CID 88607558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).