2-[spiro[4.5]decan-8-yl(2,2,2-trifluoroethyl)amino]acetic acid

C14H22F3NO2 — CID 114820775

IUPAC2-[spiro[4.5]decan-8-yl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C1CCC2(CCCC2)CC1
InChIInChI=1S/C14H22F3NO2/c15-14(16,17)10-18(9-12(19)20)11-3-7-13(8-4-11)5-1-2-6-13/h11H,1-10H2,(H,19,20)
InChIKeyZOTAQSWPQGZENV-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.44
Rot. Bonds4

About 2-[spiro[4.5]decan-8-yl(2,2,2-trifluoroethyl)amino]acetic acid

2-[spiro[4.5]decan-8-yl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 114820775) has the molecular formula C14H22F3NO2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-[spiro[4.5]decan-8-yl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[spiro[4.5]decan-8-yl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID114820775
Molecular FormulaC14H22F3NO2
Molecular Weight293.33 g/mol
Exact Mass293.16
IUPAC Name2-[spiro[4.5]decan-8-yl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C1CCC2(CCCC2)CC1
InChIInChI=1S/C14H22F3NO2/c15-14(16,17)10-18(9-12(19)20)11-3-7-13(8-4-11)5-1-2-6-13/h11H,1-10H2,(H,19,20)
InChIKeyZOTAQSWPQGZENV-UHFFFAOYSA-N
XLogP3.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[spiro[4.5]decan-8-yl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[spiro[4.5]decan-8-yl(2,2,2-trifluoroethyl)amino]acetic acid (CID 114820775) is 2-[spiro[4.5]decan-8-yl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[spiro[4.5]decan-8-yl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[spiro[4.5]decan-8-yl(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C1CCC2(CCCC2)CC1.
What is the InChIKey of 2-[spiro[4.5]decan-8-yl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is ZOTAQSWPQGZENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO2/c15-14(16,17)10-18(9-12(19)20)11-3-7-13(8-4-11)5-1-2-6-13/h11H,1-10H2,(H,19,20).
What are the key properties of 2-[spiro[4.5]decan-8-yl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[spiro[4.5]decan-8-yl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 293.33 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[spiro[4.5]decan-8-yl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 114820775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).