cyclobutyl 2-(2,2,2-trifluoroethylamino)acetate

C8H12F3NO2 — CID 79257875

IUPACcyclobutyl 2-(2,2,2-trifluoroethylamino)acetate
SMILESO=C(CNCC(F)(F)F)OC1CCC1
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)5-12-4-7(13)14-6-2-1-3-6/h6,12H,1-5H2
InChIKeyXINUJGBHIIUTLV-UHFFFAOYSA-N
MW211.18 g/mol
LogP1.23
Rot. Bonds4

About cyclobutyl 2-(2,2,2-trifluoroethylamino)acetate

cyclobutyl 2-(2,2,2-trifluoroethylamino)acetate (PubChem CID 79257875) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is cyclobutyl 2-(2,2,2-trifluoroethylamino)acetate.

Molecular Properties

Compound Namecyclobutyl 2-(2,2,2-trifluoroethylamino)acetate
PubChem CID79257875
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Namecyclobutyl 2-(2,2,2-trifluoroethylamino)acetate
SMILESO=C(CNCC(F)(F)F)OC1CCC1
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)5-12-4-7(13)14-6-2-1-3-6/h6,12H,1-5H2
InChIKeyXINUJGBHIIUTLV-UHFFFAOYSA-N
XLogP1.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclobutyl 2-formamidoacetate;3-methylbutan-2-amine
CID 178083368
cyclopentyl 2-(propan-2-ylamino)acetate
CID 45098593
oxolan-3-ylmethyl 2-(2,2,2-trifluoroethylamino)acetate
CID 79258784
cyclopentyl 3-cyclopentylpropanoate
CID 534685
(3-methoxycyclohexyl) 2-[(2-amino-2-oxoethyl)amino]acetate
CID 107437046
1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone
CID 28595912
N,N-bis(cyclopropylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78966256
cyclopentyl 2-(piperidin-4-ylamino)acetate;dihydrochloride
CID 174595921
cis-(1S,2R)-1-N,2-N-bis(2,2,2-trifluoroethyl)cyclopentane-1,2-dicarboxamide
CID 97068565
cyclobutyl 4-bromobutanoate
CID 591081
1-piperidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone
CID 28596000
4-O-cyclobutyl 1-O-ethyl butanedioate
CID 91702391

Frequently Asked Questions

What is the IUPAC name of cyclobutyl 2-(2,2,2-trifluoroethylamino)acetate?
The IUPAC name of cyclobutyl 2-(2,2,2-trifluoroethylamino)acetate (CID 79257875) is cyclobutyl 2-(2,2,2-trifluoroethylamino)acetate.
What is the SMILES notation for cyclobutyl 2-(2,2,2-trifluoroethylamino)acetate?
The canonical SMILES for cyclobutyl 2-(2,2,2-trifluoroethylamino)acetate is O=C(CNCC(F)(F)F)OC1CCC1.
What is the InChIKey of cyclobutyl 2-(2,2,2-trifluoroethylamino)acetate?
The InChIKey is XINUJGBHIIUTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c9-8(10,11)5-12-4-7(13)14-6-2-1-3-6/h6,12H,1-5H2.
What are the key properties of cyclobutyl 2-(2,2,2-trifluoroethylamino)acetate?
cyclobutyl 2-(2,2,2-trifluoroethylamino)acetate has a molecular weight of 211.18 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl 2-(2,2,2-trifluoroethylamino)acetate is sourced from PubChem (CID 79257875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).