1-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3,3-dimethylbutan-2-one

C10H18F3NO2 — CID 107481339

IUPAC1-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3,3-dimethylbutan-2-one
SMILESCC(C)(C)C(=O)CN(CCO)CC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-9(2,3)8(16)6-14(4-5-15)7-10(11,12)13/h15H,4-7H2,1-3H3
InChIKeyMNMSWTXKLDKKMT-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.46
Rot. Bonds5

About 1-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3,3-dimethylbutan-2-one

1-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3,3-dimethylbutan-2-one (PubChem CID 107481339) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 1-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name1-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3,3-dimethylbutan-2-one
PubChem CID107481339
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name1-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3,3-dimethylbutan-2-one
SMILESCC(C)(C)C(=O)CN(CCO)CC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-9(2,3)8(16)6-14(4-5-15)7-10(11,12)13/h15H,4-7H2,1-3H3
InChIKeyMNMSWTXKLDKKMT-UHFFFAOYSA-N
XLogP1.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3,3-dimethylbutan-2-one?
The IUPAC name of 1-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3,3-dimethylbutan-2-one (CID 107481339) is 1-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3,3-dimethylbutan-2-one.
What is the SMILES notation for 1-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3,3-dimethylbutan-2-one?
The canonical SMILES for 1-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3,3-dimethylbutan-2-one is CC(C)(C)C(=O)CN(CCO)CC(F)(F)F.
What is the InChIKey of 1-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3,3-dimethylbutan-2-one?
The InChIKey is MNMSWTXKLDKKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-9(2,3)8(16)6-14(4-5-15)7-10(11,12)13/h15H,4-7H2,1-3H3.
What are the key properties of 1-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3,3-dimethylbutan-2-one?
1-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3,3-dimethylbutan-2-one has a molecular weight of 241.25 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3,3-dimethylbutan-2-one is sourced from PubChem (CID 107481339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).