3-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-ol

C9H17F3O2 — CID 107893094

IUPAC3-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-ol
SMILESCCCC(C)C(O)COCC(F)(F)F
InChIInChI=1S/C9H17F3O2/c1-3-4-7(2)8(13)5-14-6-9(10,11)12/h7-8,13H,3-6H2,1-2H3
InChIKeyIRUQPRZWJGJVRI-UHFFFAOYSA-N
MW214.23 g/mol
LogP2.36
Rot. Bonds6

About 3-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-ol

3-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-ol (PubChem CID 107893094) has the molecular formula C9H17F3O2 and a molecular weight of 214.23 g/mol. Its IUPAC name is 3-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-ol.

Molecular Properties

Compound Name3-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-ol
PubChem CID107893094
Molecular FormulaC9H17F3O2
Molecular Weight214.23 g/mol
Exact Mass214.12
IUPAC Name3-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-ol
SMILESCCCC(C)C(O)COCC(F)(F)F
InChIInChI=1S/C9H17F3O2/c1-3-4-7(2)8(13)5-14-6-9(10,11)12/h7-8,13H,3-6H2,1-2H3
InChIKeyIRUQPRZWJGJVRI-UHFFFAOYSA-N
XLogP2.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,2,2-trifluoroethoxymethyl)heptane
CID 139669708
2-fluoro-1-(2,2,2-trifluoroethoxy)hexane
CID 10703268
(4R)-4-methylheptan-3-ol
CID 12799251
5,5-dimethyl-1-(2,2,2-trifluoroethoxy)hexan-2-ol
CID 103216774
1-(dimethylamino)-3-methylhexan-2-ol
CID 107892980
1-(ethylamino)-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 43166141
1-(2,2,2-trifluoroethoxy)octan-2-amine
CID 103214891
3-methyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-ol
CID 106706485
2-(2,2,2-trifluoroethoxymethyl)pentane-1-sulfonamide
CID 65013118
2-methyl-N-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 82712606
1-bromo-2-methyl-4-(2,2,2-trifluoroethoxy)butane
CID 66049605
N-propyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine
CID 103214890

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-ol?
The IUPAC name of 3-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-ol (CID 107893094) is 3-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-ol.
What is the SMILES notation for 3-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-ol?
The canonical SMILES for 3-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-ol is CCCC(C)C(O)COCC(F)(F)F.
What is the InChIKey of 3-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-ol?
The InChIKey is IRUQPRZWJGJVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3O2/c1-3-4-7(2)8(13)5-14-6-9(10,11)12/h7-8,13H,3-6H2,1-2H3.
What are the key properties of 3-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-ol?
3-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-ol has a molecular weight of 214.23 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-ol is sourced from PubChem (CID 107893094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).