2-[5-(2-amino-1,1,2-trifluoroethyl)oxolan-2-yl]-1,2,2-trifluoroethanamine

C8H12F6N2O — CID 130427464

IUPAC2-[5-(2-amino-1,1,2-trifluoroethyl)oxolan-2-yl]-1,2,2-trifluoroethanamine
SMILESNC(F)C(F)(F)C1CCC(C(F)(F)C(N)F)O1
InChIInChI=1S/C8H12F6N2O/c9-5(15)7(11,12)3-1-2-4(17-3)8(13,14)6(10)16/h3-6H,1-2,15-16H2
InChIKeyGRVNUPMOGXGBLK-UHFFFAOYSA-N
MW266.19 g/mol
LogP1.31
Rot. Bonds4

About 2-[5-(2-amino-1,1,2-trifluoroethyl)oxolan-2-yl]-1,2,2-trifluoroethanamine

2-[5-(2-amino-1,1,2-trifluoroethyl)oxolan-2-yl]-1,2,2-trifluoroethanamine (PubChem CID 130427464) has the molecular formula C8H12F6N2O and a molecular weight of 266.19 g/mol. Its IUPAC name is 2-[5-(2-amino-1,1,2-trifluoroethyl)oxolan-2-yl]-1,2,2-trifluoroethanamine.

Molecular Properties

Compound Name2-[5-(2-amino-1,1,2-trifluoroethyl)oxolan-2-yl]-1,2,2-trifluoroethanamine
PubChem CID130427464
Molecular FormulaC8H12F6N2O
Molecular Weight266.19 g/mol
Exact Mass266.09
IUPAC Name2-[5-(2-amino-1,1,2-trifluoroethyl)oxolan-2-yl]-1,2,2-trifluoroethanamine
SMILESNC(F)C(F)(F)C1CCC(C(F)(F)C(N)F)O1
InChIInChI=1S/C8H12F6N2O/c9-5(15)7(11,12)3-1-2-4(17-3)8(13,14)6(10)16/h3-6H,1-2,15-16H2
InChIKeyGRVNUPMOGXGBLK-UHFFFAOYSA-N
XLogP1.31
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.19
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-amino-1,1,2-trifluoroethyl)oxolan-2-yl]-1,2,2-trifluoroethanamine?
The IUPAC name of 2-[5-(2-amino-1,1,2-trifluoroethyl)oxolan-2-yl]-1,2,2-trifluoroethanamine (CID 130427464) is 2-[5-(2-amino-1,1,2-trifluoroethyl)oxolan-2-yl]-1,2,2-trifluoroethanamine.
What is the SMILES notation for 2-[5-(2-amino-1,1,2-trifluoroethyl)oxolan-2-yl]-1,2,2-trifluoroethanamine?
The canonical SMILES for 2-[5-(2-amino-1,1,2-trifluoroethyl)oxolan-2-yl]-1,2,2-trifluoroethanamine is NC(F)C(F)(F)C1CCC(C(F)(F)C(N)F)O1.
What is the InChIKey of 2-[5-(2-amino-1,1,2-trifluoroethyl)oxolan-2-yl]-1,2,2-trifluoroethanamine?
The InChIKey is GRVNUPMOGXGBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F6N2O/c9-5(15)7(11,12)3-1-2-4(17-3)8(13,14)6(10)16/h3-6H,1-2,15-16H2.
What are the key properties of 2-[5-(2-amino-1,1,2-trifluoroethyl)oxolan-2-yl]-1,2,2-trifluoroethanamine?
2-[5-(2-amino-1,1,2-trifluoroethyl)oxolan-2-yl]-1,2,2-trifluoroethanamine has a molecular weight of 266.19 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-amino-1,1,2-trifluoroethyl)oxolan-2-yl]-1,2,2-trifluoroethanamine is sourced from PubChem (CID 130427464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).