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

C10H20F3NO — CID 66455206

IUPAC4-[ethyl(2,2,2-trifluoroethyl)amino]-3,3-dimethylbutan-2-ol
SMILESCCN(CC(F)(F)F)CC(C)(C)C(C)O
InChIInChI=1S/C10H20F3NO/c1-5-14(7-10(11,12)13)6-9(3,4)8(2)15/h8,15H,5-7H2,1-4H3
InChIKeySGJHFRNHRLITJD-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.28
Rot. Bonds5

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

4-[ethyl(2,2,2-trifluoroethyl)amino]-3,3-dimethylbutan-2-ol (PubChem CID 66455206) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is 4-[ethyl(2,2,2-trifluoroethyl)amino]-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name4-[ethyl(2,2,2-trifluoroethyl)amino]-3,3-dimethylbutan-2-ol
PubChem CID66455206
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC Name4-[ethyl(2,2,2-trifluoroethyl)amino]-3,3-dimethylbutan-2-ol
SMILESCCN(CC(F)(F)F)CC(C)(C)C(C)O
InChIInChI=1S/C10H20F3NO/c1-5-14(7-10(11,12)13)6-9(3,4)8(2)15/h8,15H,5-7H2,1-4H3
InChIKeySGJHFRNHRLITJD-UHFFFAOYSA-N
XLogP2.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2,2,2-trifluoroethyl)amino]-3,3-dimethylbutan-2-ol?
The IUPAC name of 4-[ethyl(2,2,2-trifluoroethyl)amino]-3,3-dimethylbutan-2-ol (CID 66455206) is 4-[ethyl(2,2,2-trifluoroethyl)amino]-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 4-[ethyl(2,2,2-trifluoroethyl)amino]-3,3-dimethylbutan-2-ol?
The canonical SMILES for 4-[ethyl(2,2,2-trifluoroethyl)amino]-3,3-dimethylbutan-2-ol is CCN(CC(F)(F)F)CC(C)(C)C(C)O.
What is the InChIKey of 4-[ethyl(2,2,2-trifluoroethyl)amino]-3,3-dimethylbutan-2-ol?
The InChIKey is SGJHFRNHRLITJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-5-14(7-10(11,12)13)6-9(3,4)8(2)15/h8,15H,5-7H2,1-4H3.
What are the key properties of 4-[ethyl(2,2,2-trifluoroethyl)amino]-3,3-dimethylbutan-2-ol?
4-[ethyl(2,2,2-trifluoroethyl)amino]-3,3-dimethylbutan-2-ol has a molecular weight of 227.27 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2,2,2-trifluoroethyl)amino]-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 66455206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).