1-[ethyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-ol

C11H22F3NO — CID 62624110

IUPAC1-[ethyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-ol
SMILESCCN(CCC(O)C(C)(C)C)CC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-5-15(8-11(12,13)14)7-6-9(16)10(2,3)4/h9,16H,5-8H2,1-4H3
InChIKeyQOIKUUZAGSVVGS-UHFFFAOYSA-N
MW241.30 g/mol
LogP2.67
Rot. Bonds5

About 1-[ethyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-ol

1-[ethyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-ol (PubChem CID 62624110) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 1-[ethyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-ol.

Molecular Properties

Compound Name1-[ethyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-ol
PubChem CID62624110
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name1-[ethyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-ol
SMILESCCN(CCC(O)C(C)(C)C)CC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-5-15(8-11(12,13)14)7-6-9(16)10(2,3)4/h9,16H,5-8H2,1-4H3
InChIKeyQOIKUUZAGSVVGS-UHFFFAOYSA-N
XLogP2.67
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-ol?
The IUPAC name of 1-[ethyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-ol (CID 62624110) is 1-[ethyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-ol.
What is the SMILES notation for 1-[ethyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-ol?
The canonical SMILES for 1-[ethyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-ol is CCN(CCC(O)C(C)(C)C)CC(F)(F)F.
What is the InChIKey of 1-[ethyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-ol?
The InChIKey is QOIKUUZAGSVVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-5-15(8-11(12,13)14)7-6-9(16)10(2,3)4/h9,16H,5-8H2,1-4H3.
What are the key properties of 1-[ethyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-ol?
1-[ethyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-ol has a molecular weight of 241.30 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-ol is sourced from PubChem (CID 62624110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).