ethyl 2-(cyclopropylmethylamino)-3,3,3-trifluoro-2-methylpropanoate

C10H16F3NO2 — CID 106523355

IUPACethyl 2-(cyclopropylmethylamino)-3,3,3-trifluoro-2-methylpropanoate
SMILESCCOC(=O)C(C)(NCC1CC1)C(F)(F)F
InChIInChI=1S/C10H16F3NO2/c1-3-16-8(15)9(2,10(11,12)13)14-6-7-4-5-7/h7,14H,3-6H2,1-2H3
InChIKeyAGIBQXGBDXQDTQ-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.87
Rot. Bonds5

About ethyl 2-(cyclopropylmethylamino)-3,3,3-trifluoro-2-methylpropanoate

ethyl 2-(cyclopropylmethylamino)-3,3,3-trifluoro-2-methylpropanoate (PubChem CID 106523355) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is ethyl 2-(cyclopropylmethylamino)-3,3,3-trifluoro-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-(cyclopropylmethylamino)-3,3,3-trifluoro-2-methylpropanoate
PubChem CID106523355
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Nameethyl 2-(cyclopropylmethylamino)-3,3,3-trifluoro-2-methylpropanoate
SMILESCCOC(=O)C(C)(NCC1CC1)C(F)(F)F
InChIInChI=1S/C10H16F3NO2/c1-3-16-8(15)9(2,10(11,12)13)14-6-7-4-5-7/h7,14H,3-6H2,1-2H3
InChIKeyAGIBQXGBDXQDTQ-UHFFFAOYSA-N
XLogP1.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropylmethylamino)-3,3,3-trifluoro-2-methylpropanoate?
The IUPAC name of ethyl 2-(cyclopropylmethylamino)-3,3,3-trifluoro-2-methylpropanoate (CID 106523355) is ethyl 2-(cyclopropylmethylamino)-3,3,3-trifluoro-2-methylpropanoate.
What is the SMILES notation for ethyl 2-(cyclopropylmethylamino)-3,3,3-trifluoro-2-methylpropanoate?
The canonical SMILES for ethyl 2-(cyclopropylmethylamino)-3,3,3-trifluoro-2-methylpropanoate is CCOC(=O)C(C)(NCC1CC1)C(F)(F)F.
What is the InChIKey of ethyl 2-(cyclopropylmethylamino)-3,3,3-trifluoro-2-methylpropanoate?
The InChIKey is AGIBQXGBDXQDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-3-16-8(15)9(2,10(11,12)13)14-6-7-4-5-7/h7,14H,3-6H2,1-2H3.
What are the key properties of ethyl 2-(cyclopropylmethylamino)-3,3,3-trifluoro-2-methylpropanoate?
ethyl 2-(cyclopropylmethylamino)-3,3,3-trifluoro-2-methylpropanoate has a molecular weight of 239.24 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropylmethylamino)-3,3,3-trifluoro-2-methylpropanoate is sourced from PubChem (CID 106523355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).