1-[6-(2-amino-1,1,2-trifluoroethyl)oxan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine

C10H14F8N2O — CID 130427209

IUPAC1-[6-(2-amino-1,1,2-trifluoroethyl)oxan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine
SMILESNC(F)C(F)(F)C1CCCC(C(F)(F)C(N)C(F)(F)F)O1
InChIInChI=1S/C10H14F8N2O/c11-7(20)9(14,15)5-3-1-2-4(21-5)8(12,13)6(19)10(16,17)18/h4-7H,1-3,19-20H2
InChIKeyCZVQCGDZISZDFU-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.34
Rot. Bonds4

About 1-[6-(2-amino-1,1,2-trifluoroethyl)oxan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine

1-[6-(2-amino-1,1,2-trifluoroethyl)oxan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine (PubChem CID 130427209) has the molecular formula C10H14F8N2O and a molecular weight of 330.22 g/mol. Its IUPAC name is 1-[6-(2-amino-1,1,2-trifluoroethyl)oxan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine.

Molecular Properties

Compound Name1-[6-(2-amino-1,1,2-trifluoroethyl)oxan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine
PubChem CID130427209
Molecular FormulaC10H14F8N2O
Molecular Weight330.22 g/mol
Exact Mass330.10
IUPAC Name1-[6-(2-amino-1,1,2-trifluoroethyl)oxan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine
SMILESNC(F)C(F)(F)C1CCCC(C(F)(F)C(N)C(F)(F)F)O1
InChIInChI=1S/C10H14F8N2O/c11-7(20)9(14,15)5-3-1-2-4(21-5)8(12,13)6(19)10(16,17)18/h4-7H,1-3,19-20H2
InChIKeyCZVQCGDZISZDFU-UHFFFAOYSA-N
XLogP2.34
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.34
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-[6-(2-amino-1,1,2-trifluoroethyl)oxan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine?
The IUPAC name of 1-[6-(2-amino-1,1,2-trifluoroethyl)oxan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine (CID 130427209) is 1-[6-(2-amino-1,1,2-trifluoroethyl)oxan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine.
What is the SMILES notation for 1-[6-(2-amino-1,1,2-trifluoroethyl)oxan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine?
The canonical SMILES for 1-[6-(2-amino-1,1,2-trifluoroethyl)oxan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine is NC(F)C(F)(F)C1CCCC(C(F)(F)C(N)C(F)(F)F)O1.
What is the InChIKey of 1-[6-(2-amino-1,1,2-trifluoroethyl)oxan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine?
The InChIKey is CZVQCGDZISZDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F8N2O/c11-7(20)9(14,15)5-3-1-2-4(21-5)8(12,13)6(19)10(16,17)18/h4-7H,1-3,19-20H2.
What are the key properties of 1-[6-(2-amino-1,1,2-trifluoroethyl)oxan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine?
1-[6-(2-amino-1,1,2-trifluoroethyl)oxan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine has a molecular weight of 330.22 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-amino-1,1,2-trifluoroethyl)oxan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine is sourced from PubChem (CID 130427209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).