methyl 2-methyl-2-(trifluoromethyl)butanoate

C7H11F3O2 — CID 20742589

IUPACmethyl 2-methyl-2-(trifluoromethyl)butanoate
SMILESCCC(C)(C(=O)OC)C(F)(F)F
InChIInChI=1S/C7H11F3O2/c1-4-6(2,5(11)12-3)7(8,9)10/h4H2,1-3H3
InChIKeyRTIQRQJBNYTCIU-UHFFFAOYSA-N
MW184.16 g/mol
LogP2.14
Rot. Bonds2

About methyl 2-methyl-2-(trifluoromethyl)butanoate

methyl 2-methyl-2-(trifluoromethyl)butanoate (PubChem CID 20742589) has the molecular formula C7H11F3O2 and a molecular weight of 184.16 g/mol. Its IUPAC name is methyl 2-methyl-2-(trifluoromethyl)butanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(trifluoromethyl)butanoate
PubChem CID20742589
Molecular FormulaC7H11F3O2
Molecular Weight184.16 g/mol
Exact Mass184.07
IUPAC Namemethyl 2-methyl-2-(trifluoromethyl)butanoate
SMILESCCC(C)(C(=O)OC)C(F)(F)F
InChIInChI=1S/C7H11F3O2/c1-4-6(2,5(11)12-3)7(8,9)10/h4H2,1-3H3
InChIKeyRTIQRQJBNYTCIU-UHFFFAOYSA-N
XLogP2.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methane;methyl 2-ethyl-2,3,3-trimethylpentanoate
CID 161314197
2,2,2-trifluoroethyl 2-methyl-2-(trifluoromethyl)butanoate
CID 23594538
1-fluoroethyl 2-methyl-2-(trifluoromethyl)butanoate
CID 88981405
1,1,1,3-tetrafluoropropan-2-yl 2-methyl-2-(trifluoromethyl)butanoate
CID 58789609
3-methylbutan-2-yl 2-methyl-2-(trifluoromethyl)butanoate
CID 59594152
pentyl 2-methyl-2-(trifluoromethyl)butanoate
CID 59126240
2-methyl-2-(trifluoromethyl)butanoic acid;bis(yttrium)
CID 21063652
cycloheptyl 2-methyl-2-(trifluoromethyl)butanoate
CID 59422991
[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethyl] 2-methyl-2-(trifluoromethyl)butanoate
CID 135139140
methane;methyl 2,2-dimethylbutanoate
CID 161256043
3-O-tert-butyl 1-O-methyl (2R)-2-ethyl-2-fluoropropanedioate
CID 25265204
methyl 2-amino-2-fluorobutanoate;hydrochloride
CID 142778169

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-(trifluoromethyl)butanoate?
The IUPAC name of methyl 2-methyl-2-(trifluoromethyl)butanoate (CID 20742589) is methyl 2-methyl-2-(trifluoromethyl)butanoate.
What is the SMILES notation for methyl 2-methyl-2-(trifluoromethyl)butanoate?
The canonical SMILES for methyl 2-methyl-2-(trifluoromethyl)butanoate is CCC(C)(C(=O)OC)C(F)(F)F.
What is the InChIKey of methyl 2-methyl-2-(trifluoromethyl)butanoate?
The InChIKey is RTIQRQJBNYTCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O2/c1-4-6(2,5(11)12-3)7(8,9)10/h4H2,1-3H3.
What are the key properties of methyl 2-methyl-2-(trifluoromethyl)butanoate?
methyl 2-methyl-2-(trifluoromethyl)butanoate has a molecular weight of 184.16 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-(trifluoromethyl)butanoate is sourced from PubChem (CID 20742589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).