1-[5-(2-amino-1,1,2-trifluoroethyl)oxolan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine

C9H12F8N2O — CID 130427378

IUPAC1-[5-(2-amino-1,1,2-trifluoroethyl)oxolan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine
SMILESNC(F)C(F)(F)C1CCC(C(F)(F)C(N)C(F)(F)F)O1
InChIInChI=1S/C9H12F8N2O/c10-6(19)8(13,14)4-2-1-3(20-4)7(11,12)5(18)9(15,16)17/h3-6H,1-2,18-19H2
InChIKeyHXLQXFJKLJUMAR-UHFFFAOYSA-N
MW316.19 g/mol
LogP1.95
Rot. Bonds4

About 1-[5-(2-amino-1,1,2-trifluoroethyl)oxolan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine

1-[5-(2-amino-1,1,2-trifluoroethyl)oxolan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine (PubChem CID 130427378) has the molecular formula C9H12F8N2O and a molecular weight of 316.19 g/mol. Its IUPAC name is 1-[5-(2-amino-1,1,2-trifluoroethyl)oxolan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine.

Molecular Properties

Compound Name1-[5-(2-amino-1,1,2-trifluoroethyl)oxolan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine
PubChem CID130427378
Molecular FormulaC9H12F8N2O
Molecular Weight316.19 g/mol
Exact Mass316.08
IUPAC Name1-[5-(2-amino-1,1,2-trifluoroethyl)oxolan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine
SMILESNC(F)C(F)(F)C1CCC(C(F)(F)C(N)C(F)(F)F)O1
InChIInChI=1S/C9H12F8N2O/c10-6(19)8(13,14)4-2-1-3(20-4)7(11,12)5(18)9(15,16)17/h3-6H,1-2,18-19H2
InChIKeyHXLQXFJKLJUMAR-UHFFFAOYSA-N
XLogP1.95
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 51.95
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 1-[5-(2-amino-1,1,2-trifluoroethyl)oxolan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine?
The IUPAC name of 1-[5-(2-amino-1,1,2-trifluoroethyl)oxolan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine (CID 130427378) is 1-[5-(2-amino-1,1,2-trifluoroethyl)oxolan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine.
What is the SMILES notation for 1-[5-(2-amino-1,1,2-trifluoroethyl)oxolan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine?
The canonical SMILES for 1-[5-(2-amino-1,1,2-trifluoroethyl)oxolan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine is NC(F)C(F)(F)C1CCC(C(F)(F)C(N)C(F)(F)F)O1.
What is the InChIKey of 1-[5-(2-amino-1,1,2-trifluoroethyl)oxolan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine?
The InChIKey is HXLQXFJKLJUMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F8N2O/c10-6(19)8(13,14)4-2-1-3(20-4)7(11,12)5(18)9(15,16)17/h3-6H,1-2,18-19H2.
What are the key properties of 1-[5-(2-amino-1,1,2-trifluoroethyl)oxolan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine?
1-[5-(2-amino-1,1,2-trifluoroethyl)oxolan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine has a molecular weight of 316.19 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-amino-1,1,2-trifluoroethyl)oxolan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine is sourced from PubChem (CID 130427378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).