3-methyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-ol

C8H15F3O2 — CID 106706485

IUPAC3-methyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-ol
SMILESCC(C)C(CO)COCC(F)(F)F
InChIInChI=1S/C8H15F3O2/c1-6(2)7(3-12)4-13-5-8(9,10)11/h6-7,12H,3-5H2,1-2H3
InChIKeyPGCUPUNZCXKDRB-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.83
Rot. Bonds5

About 3-methyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-ol

3-methyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-ol (PubChem CID 106706485) has the molecular formula C8H15F3O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is 3-methyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-ol
PubChem CID106706485
Molecular FormulaC8H15F3O2
Molecular Weight200.20 g/mol
Exact Mass200.10
IUPAC Name3-methyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-ol
SMILESCC(C)C(CO)COCC(F)(F)F
InChIInChI=1S/C8H15F3O2/c1-6(2)7(3-12)4-13-5-8(9,10)11/h6-7,12H,3-5H2,1-2H3
InChIKeyPGCUPUNZCXKDRB-UHFFFAOYSA-N
XLogP1.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-3-methyl-2-(2,2,2-trifluoroethoxymethyl)butane
CID 106706535
2-(methylamino)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 64802406
2-(2,2,2-trifluoroethoxymethyl)butane-1,4-diol
CID 146489799
2-(2,2-diethoxyethoxymethyl)-3-methylbutan-1-ol
CID 121420084
3-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-ol
CID 107893094
4-(2,2,2-trifluoroethoxymethyl)heptane
CID 139669708
2-methyl-3-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 106706230
N,3,3-trimethyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-amine
CID 106706186
5,5-dimethyl-1-(2,2,2-trifluoroethoxy)hexan-2-ol
CID 103216774
1-(2,2,2-trifluoroethoxy)propan-2-yl 2-methoxypropanoate
CID 88537906
3-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propan-1-ol
CID 62015613
3-methyl-2-[2-(2-methylpropoxy)ethyl]butan-1-ol
CID 106459451

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-ol?
The IUPAC name of 3-methyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-ol (CID 106706485) is 3-methyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-ol.
What is the SMILES notation for 3-methyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-ol?
The canonical SMILES for 3-methyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-ol is CC(C)C(CO)COCC(F)(F)F.
What is the InChIKey of 3-methyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-ol?
The InChIKey is PGCUPUNZCXKDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3O2/c1-6(2)7(3-12)4-13-5-8(9,10)11/h6-7,12H,3-5H2,1-2H3.
What are the key properties of 3-methyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-ol?
3-methyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-ol has a molecular weight of 200.20 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-ol is sourced from PubChem (CID 106706485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).