trifluoromethyl 2-methyl-2-(propylamino)pentanoate

C10H18F3NO2 — CID 88640072

IUPACtrifluoromethyl 2-methyl-2-(propylamino)pentanoate
SMILESCCCNC(C)(CCC)C(=O)OC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-4-6-9(3,14-7-5-2)8(15)16-10(11,12)13/h14H,4-7H2,1-3H3
InChIKeyUHEKJSWHYIILEF-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.61
Rot. Bonds6

About trifluoromethyl 2-methyl-2-(propylamino)pentanoate

trifluoromethyl 2-methyl-2-(propylamino)pentanoate (PubChem CID 88640072) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is trifluoromethyl 2-methyl-2-(propylamino)pentanoate.

Molecular Properties

Compound Nametrifluoromethyl 2-methyl-2-(propylamino)pentanoate
PubChem CID88640072
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Nametrifluoromethyl 2-methyl-2-(propylamino)pentanoate
SMILESCCCNC(C)(CCC)C(=O)OC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-4-6-9(3,14-7-5-2)8(15)16-10(11,12)13/h14H,4-7H2,1-3H3
InChIKeyUHEKJSWHYIILEF-UHFFFAOYSA-N
XLogP2.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trifluoromethyl 2-methyl-2-(propylamino)pentanoate?
The IUPAC name of trifluoromethyl 2-methyl-2-(propylamino)pentanoate (CID 88640072) is trifluoromethyl 2-methyl-2-(propylamino)pentanoate.
What is the SMILES notation for trifluoromethyl 2-methyl-2-(propylamino)pentanoate?
The canonical SMILES for trifluoromethyl 2-methyl-2-(propylamino)pentanoate is CCCNC(C)(CCC)C(=O)OC(F)(F)F.
What is the InChIKey of trifluoromethyl 2-methyl-2-(propylamino)pentanoate?
The InChIKey is UHEKJSWHYIILEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-4-6-9(3,14-7-5-2)8(15)16-10(11,12)13/h14H,4-7H2,1-3H3.
What are the key properties of trifluoromethyl 2-methyl-2-(propylamino)pentanoate?
trifluoromethyl 2-methyl-2-(propylamino)pentanoate has a molecular weight of 241.25 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethyl 2-methyl-2-(propylamino)pentanoate is sourced from PubChem (CID 88640072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).