2-ethyl-4-methoxy-2-(trifluoromethyl)butan-1-ol

C8H15F3O2 — CID 172588364

IUPAC2-ethyl-4-methoxy-2-(trifluoromethyl)butan-1-ol
SMILESCCC(CO)(CCOC)C(F)(F)F
InChIInChI=1S/C8H15F3O2/c1-3-7(6-12,4-5-13-2)8(9,10)11/h12H,3-6H2,1-2H3
InChIKeyFURPKAVTNNGINR-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.97
Rot. Bonds5

About 2-ethyl-4-methoxy-2-(trifluoromethyl)butan-1-ol

2-ethyl-4-methoxy-2-(trifluoromethyl)butan-1-ol (PubChem CID 172588364) has the molecular formula C8H15F3O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is 2-ethyl-4-methoxy-2-(trifluoromethyl)butan-1-ol.

Molecular Properties

Compound Name2-ethyl-4-methoxy-2-(trifluoromethyl)butan-1-ol
PubChem CID172588364
Molecular FormulaC8H15F3O2
Molecular Weight200.20 g/mol
Exact Mass200.10
IUPAC Name2-ethyl-4-methoxy-2-(trifluoromethyl)butan-1-ol
SMILESCCC(CO)(CCOC)C(F)(F)F
InChIInChI=1S/C8H15F3O2/c1-3-7(6-12,4-5-13-2)8(9,10)11/h12H,3-6H2,1-2H3
InChIKeyFURPKAVTNNGINR-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methoxy-2-(trifluoromethyl)butan-1-ol?
The IUPAC name of 2-ethyl-4-methoxy-2-(trifluoromethyl)butan-1-ol (CID 172588364) is 2-ethyl-4-methoxy-2-(trifluoromethyl)butan-1-ol.
What is the SMILES notation for 2-ethyl-4-methoxy-2-(trifluoromethyl)butan-1-ol?
The canonical SMILES for 2-ethyl-4-methoxy-2-(trifluoromethyl)butan-1-ol is CCC(CO)(CCOC)C(F)(F)F.
What is the InChIKey of 2-ethyl-4-methoxy-2-(trifluoromethyl)butan-1-ol?
The InChIKey is FURPKAVTNNGINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3O2/c1-3-7(6-12,4-5-13-2)8(9,10)11/h12H,3-6H2,1-2H3.
What are the key properties of 2-ethyl-4-methoxy-2-(trifluoromethyl)butan-1-ol?
2-ethyl-4-methoxy-2-(trifluoromethyl)butan-1-ol has a molecular weight of 200.20 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methoxy-2-(trifluoromethyl)butan-1-ol is sourced from PubChem (CID 172588364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).