4-[ethyl(methyl)amino]-1,1,1-trifluoropentan-3-ol

C8H16F3NO — CID 169073945

IUPAC4-[ethyl(methyl)amino]-1,1,1-trifluoropentan-3-ol
SMILESCCN(C)C(C)C(O)CC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-4-12(3)6(2)7(13)5-8(9,10)11/h6-7,13H,4-5H2,1-3H3
InChIKeyJGUKUFHJDVMYRH-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.64
Rot. Bonds4

About 4-[ethyl(methyl)amino]-1,1,1-trifluoropentan-3-ol

4-[ethyl(methyl)amino]-1,1,1-trifluoropentan-3-ol (PubChem CID 169073945) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is 4-[ethyl(methyl)amino]-1,1,1-trifluoropentan-3-ol.

Molecular Properties

Compound Name4-[ethyl(methyl)amino]-1,1,1-trifluoropentan-3-ol
PubChem CID169073945
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Name4-[ethyl(methyl)amino]-1,1,1-trifluoropentan-3-ol
SMILESCCN(C)C(C)C(O)CC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-4-12(3)6(2)7(13)5-8(9,10)11/h6-7,13H,4-5H2,1-3H3
InChIKeyJGUKUFHJDVMYRH-UHFFFAOYSA-N
XLogP1.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(methyl)amino]-1,1,1-trifluoropentan-3-ol?
The IUPAC name of 4-[ethyl(methyl)amino]-1,1,1-trifluoropentan-3-ol (CID 169073945) is 4-[ethyl(methyl)amino]-1,1,1-trifluoropentan-3-ol.
What is the SMILES notation for 4-[ethyl(methyl)amino]-1,1,1-trifluoropentan-3-ol?
The canonical SMILES for 4-[ethyl(methyl)amino]-1,1,1-trifluoropentan-3-ol is CCN(C)C(C)C(O)CC(F)(F)F.
What is the InChIKey of 4-[ethyl(methyl)amino]-1,1,1-trifluoropentan-3-ol?
The InChIKey is JGUKUFHJDVMYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-4-12(3)6(2)7(13)5-8(9,10)11/h6-7,13H,4-5H2,1-3H3.
What are the key properties of 4-[ethyl(methyl)amino]-1,1,1-trifluoropentan-3-ol?
4-[ethyl(methyl)amino]-1,1,1-trifluoropentan-3-ol has a molecular weight of 199.22 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(methyl)amino]-1,1,1-trifluoropentan-3-ol is sourced from PubChem (CID 169073945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).