[2-methyl-1-(2,2,2-trifluoroethylamino)propan-2-yl] 2-methylbutanoate

C11H20F3NO2 — CID 157260308

IUPAC[2-methyl-1-(2,2,2-trifluoroethylamino)propan-2-yl] 2-methylbutanoate
SMILESCCC(C)C(=O)OC(C)(C)CNCC(F)(F)F
InChIInChI=1S/C11H20F3NO2/c1-5-8(2)9(16)17-10(3,4)6-15-7-11(12,13)14/h8,15H,5-7H2,1-4H3
InChIKeyMJPHLQKVUYSNMV-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.51
Rot. Bonds6

About [2-methyl-1-(2,2,2-trifluoroethylamino)propan-2-yl] 2-methylbutanoate

[2-methyl-1-(2,2,2-trifluoroethylamino)propan-2-yl] 2-methylbutanoate (PubChem CID 157260308) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is [2-methyl-1-(2,2,2-trifluoroethylamino)propan-2-yl] 2-methylbutanoate.

Molecular Properties

Compound Name[2-methyl-1-(2,2,2-trifluoroethylamino)propan-2-yl] 2-methylbutanoate
PubChem CID157260308
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name[2-methyl-1-(2,2,2-trifluoroethylamino)propan-2-yl] 2-methylbutanoate
SMILESCCC(C)C(=O)OC(C)(C)CNCC(F)(F)F
InChIInChI=1S/C11H20F3NO2/c1-5-8(2)9(16)17-10(3,4)6-15-7-11(12,13)14/h8,15H,5-7H2,1-4H3
InChIKeyMJPHLQKVUYSNMV-UHFFFAOYSA-N
XLogP2.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethylpentan-2-yl 2-methylbutanoate
CID 121443885
methyl 2-methylbutanoate;1,1,1-trifluoroethane
CID 91439197
1,1,1,2,3,3,3-heptafluoropropan-2-yl 2-methylbutanoate
CID 153303704
1,1,2,2,3,3-hexafluorobutyl 2-methylbutanoate
CID 129082618
1,1,1,3,3,3-hexafluoropropan-2-yl 5-methyl-5-(2-methylbutanoyloxy)hexanoate
CID 58005005
2,2,2-trifluoroethyl 3-methyl-3-(2-methylbutanoyloxy)pentanoate
CID 58004967
2-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 61264894
N-(2-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79261008
ethane;methyl (2R)-2-methylbutanoate
CID 143689114
2-phenylbutan-2-yl 2-methylbutanoate
CID 59331016
2,2-dimethyl-3-(2,2,2-trifluoroethylamino)propanoic acid
CID 79629822
[1-oxo-1-(2,2,2-trifluoroethoxy)propan-2-yl] 2-methylbutanoate
CID 155645532

Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-(2,2,2-trifluoroethylamino)propan-2-yl] 2-methylbutanoate?
The IUPAC name of [2-methyl-1-(2,2,2-trifluoroethylamino)propan-2-yl] 2-methylbutanoate (CID 157260308) is [2-methyl-1-(2,2,2-trifluoroethylamino)propan-2-yl] 2-methylbutanoate.
What is the SMILES notation for [2-methyl-1-(2,2,2-trifluoroethylamino)propan-2-yl] 2-methylbutanoate?
The canonical SMILES for [2-methyl-1-(2,2,2-trifluoroethylamino)propan-2-yl] 2-methylbutanoate is CCC(C)C(=O)OC(C)(C)CNCC(F)(F)F.
What is the InChIKey of [2-methyl-1-(2,2,2-trifluoroethylamino)propan-2-yl] 2-methylbutanoate?
The InChIKey is MJPHLQKVUYSNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-5-8(2)9(16)17-10(3,4)6-15-7-11(12,13)14/h8,15H,5-7H2,1-4H3.
What are the key properties of [2-methyl-1-(2,2,2-trifluoroethylamino)propan-2-yl] 2-methylbutanoate?
[2-methyl-1-(2,2,2-trifluoroethylamino)propan-2-yl] 2-methylbutanoate has a molecular weight of 255.28 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-(2,2,2-trifluoroethylamino)propan-2-yl] 2-methylbutanoate is sourced from PubChem (CID 157260308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).