7-methyl-1-(2,2,2-trifluoroethoxy)octan-4-ol

C11H21F3O2 — CID 115000197

IUPAC7-methyl-1-(2,2,2-trifluoroethoxy)octan-4-ol
SMILESCC(C)CCC(O)CCCOCC(F)(F)F
InChIInChI=1S/C11H21F3O2/c1-9(2)5-6-10(15)4-3-7-16-8-11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeyMBTPNEORTIQOSY-UHFFFAOYSA-N
MW242.28 g/mol
LogP3.14
Rot. Bonds8

About 7-methyl-1-(2,2,2-trifluoroethoxy)octan-4-ol

7-methyl-1-(2,2,2-trifluoroethoxy)octan-4-ol (PubChem CID 115000197) has the molecular formula C11H21F3O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 7-methyl-1-(2,2,2-trifluoroethoxy)octan-4-ol.

Molecular Properties

Compound Name7-methyl-1-(2,2,2-trifluoroethoxy)octan-4-ol
PubChem CID115000197
Molecular FormulaC11H21F3O2
Molecular Weight242.28 g/mol
Exact Mass242.15
IUPAC Name7-methyl-1-(2,2,2-trifluoroethoxy)octan-4-ol
SMILESCC(C)CCC(O)CCCOCC(F)(F)F
InChIInChI=1S/C11H21F3O2/c1-9(2)5-6-10(15)4-3-7-16-8-11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeyMBTPNEORTIQOSY-UHFFFAOYSA-N
XLogP3.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethane;3-methyl-1-(2,2,2-trifluoroethoxy)butane
CID 153342663
3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethoxy]butane
CID 171600515
4-bromo-1-(2,2,2-trifluoroethoxy)pentane
CID 54772582
6-methyl-1-(3-methylbutoxy)heptan-3-ol
CID 115001714
6-methyl-1-(2,2,2-trifluoroethoxy)heptan-4-amine
CID 62599900
1-(2,2,2-trifluoroethoxy)oct-7-en-3-ol
CID 103147617
1,3-bis(2,2,2-trifluoroethoxy)propane
CID 57255720
5-(3,3,3-trifluoropropoxy)pentan-2-ol
CID 82958309
6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 61490622
2-amino-5-(2,2,2-trifluoroethoxy)pentan-1-ol
CID 64571795
4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane
CID 58371353
2-tert-butyl-N-(2-methylpropyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 83139638

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-(2,2,2-trifluoroethoxy)octan-4-ol?
The IUPAC name of 7-methyl-1-(2,2,2-trifluoroethoxy)octan-4-ol (CID 115000197) is 7-methyl-1-(2,2,2-trifluoroethoxy)octan-4-ol.
What is the SMILES notation for 7-methyl-1-(2,2,2-trifluoroethoxy)octan-4-ol?
The canonical SMILES for 7-methyl-1-(2,2,2-trifluoroethoxy)octan-4-ol is CC(C)CCC(O)CCCOCC(F)(F)F.
What is the InChIKey of 7-methyl-1-(2,2,2-trifluoroethoxy)octan-4-ol?
The InChIKey is MBTPNEORTIQOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3O2/c1-9(2)5-6-10(15)4-3-7-16-8-11(12,13)14/h9-10,15H,3-8H2,1-2H3.
What are the key properties of 7-methyl-1-(2,2,2-trifluoroethoxy)octan-4-ol?
7-methyl-1-(2,2,2-trifluoroethoxy)octan-4-ol has a molecular weight of 242.28 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-(2,2,2-trifluoroethoxy)octan-4-ol is sourced from PubChem (CID 115000197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).