methyl 2-methyl-2-(3,3,3-trifluoropropanoylamino)pentanoate

C10H16F3NO3 — CID 43431501

IUPACmethyl 2-methyl-2-(3,3,3-trifluoropropanoylamino)pentanoate
SMILESCCCC(C)(NC(=O)CC(F)(F)F)C(=O)OC
InChIInChI=1S/C10H16F3NO3/c1-4-5-9(2,8(16)17-3)14-7(15)6-10(11,12)13/h4-6H2,1-3H3,(H,14,15)
InChIKeyHZAMSXFMABIINQ-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.79
Rot. Bonds5

About methyl 2-methyl-2-(3,3,3-trifluoropropanoylamino)pentanoate

methyl 2-methyl-2-(3,3,3-trifluoropropanoylamino)pentanoate (PubChem CID 43431501) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is methyl 2-methyl-2-(3,3,3-trifluoropropanoylamino)pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(3,3,3-trifluoropropanoylamino)pentanoate
PubChem CID43431501
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Namemethyl 2-methyl-2-(3,3,3-trifluoropropanoylamino)pentanoate
SMILESCCCC(C)(NC(=O)CC(F)(F)F)C(=O)OC
InChIInChI=1S/C10H16F3NO3/c1-4-5-9(2,8(16)17-3)14-7(15)6-10(11,12)13/h4-6H2,1-3H3,(H,14,15)
InChIKeyHZAMSXFMABIINQ-UHFFFAOYSA-N
XLogP1.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-(3,3,3-trifluoropropanoylamino)pentanoate?
The IUPAC name of methyl 2-methyl-2-(3,3,3-trifluoropropanoylamino)pentanoate (CID 43431501) is methyl 2-methyl-2-(3,3,3-trifluoropropanoylamino)pentanoate.
What is the SMILES notation for methyl 2-methyl-2-(3,3,3-trifluoropropanoylamino)pentanoate?
The canonical SMILES for methyl 2-methyl-2-(3,3,3-trifluoropropanoylamino)pentanoate is CCCC(C)(NC(=O)CC(F)(F)F)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-(3,3,3-trifluoropropanoylamino)pentanoate?
The InChIKey is HZAMSXFMABIINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-4-5-9(2,8(16)17-3)14-7(15)6-10(11,12)13/h4-6H2,1-3H3,(H,14,15).
What are the key properties of methyl 2-methyl-2-(3,3,3-trifluoropropanoylamino)pentanoate?
methyl 2-methyl-2-(3,3,3-trifluoropropanoylamino)pentanoate has a molecular weight of 255.24 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-(3,3,3-trifluoropropanoylamino)pentanoate is sourced from PubChem (CID 43431501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).