4-(methoxymethyl)-4-methyl-5-(2,2,2-trifluoroethoxy)pentan-2-ol

C10H19F3O3 — CID 149301608

IUPAC4-(methoxymethyl)-4-methyl-5-(2,2,2-trifluoroethoxy)pentan-2-ol
SMILESCOCC(C)(COCC(F)(F)F)CC(C)O
InChIInChI=1S/C10H19F3O3/c1-8(14)4-9(2,5-15-3)6-16-7-10(11,12)13/h8,14H,4-7H2,1-3H3
InChIKeyXWWDBMXQCFYKRX-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.99
Rot. Bonds7

About 4-(methoxymethyl)-4-methyl-5-(2,2,2-trifluoroethoxy)pentan-2-ol

4-(methoxymethyl)-4-methyl-5-(2,2,2-trifluoroethoxy)pentan-2-ol (PubChem CID 149301608) has the molecular formula C10H19F3O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 4-(methoxymethyl)-4-methyl-5-(2,2,2-trifluoroethoxy)pentan-2-ol.

Molecular Properties

Compound Name4-(methoxymethyl)-4-methyl-5-(2,2,2-trifluoroethoxy)pentan-2-ol
PubChem CID149301608
Molecular FormulaC10H19F3O3
Molecular Weight244.25 g/mol
Exact Mass244.13
IUPAC Name4-(methoxymethyl)-4-methyl-5-(2,2,2-trifluoroethoxy)pentan-2-ol
SMILESCOCC(C)(COCC(F)(F)F)CC(C)O
InChIInChI=1S/C10H19F3O3/c1-8(14)4-9(2,5-15-3)6-16-7-10(11,12)13/h8,14H,4-7H2,1-3H3
InChIKeyXWWDBMXQCFYKRX-UHFFFAOYSA-N
XLogP1.99
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-4-methyl-5-(2,2,2-trifluoroethoxy)pentan-2-ol?
The IUPAC name of 4-(methoxymethyl)-4-methyl-5-(2,2,2-trifluoroethoxy)pentan-2-ol (CID 149301608) is 4-(methoxymethyl)-4-methyl-5-(2,2,2-trifluoroethoxy)pentan-2-ol.
What is the SMILES notation for 4-(methoxymethyl)-4-methyl-5-(2,2,2-trifluoroethoxy)pentan-2-ol?
The canonical SMILES for 4-(methoxymethyl)-4-methyl-5-(2,2,2-trifluoroethoxy)pentan-2-ol is COCC(C)(COCC(F)(F)F)CC(C)O.
What is the InChIKey of 4-(methoxymethyl)-4-methyl-5-(2,2,2-trifluoroethoxy)pentan-2-ol?
The InChIKey is XWWDBMXQCFYKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3O3/c1-8(14)4-9(2,5-15-3)6-16-7-10(11,12)13/h8,14H,4-7H2,1-3H3.
What are the key properties of 4-(methoxymethyl)-4-methyl-5-(2,2,2-trifluoroethoxy)pentan-2-ol?
4-(methoxymethyl)-4-methyl-5-(2,2,2-trifluoroethoxy)pentan-2-ol has a molecular weight of 244.25 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-4-methyl-5-(2,2,2-trifluoroethoxy)pentan-2-ol is sourced from PubChem (CID 149301608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).