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

C10H12F10N2O — CID 130427377

IUPAC1-[5-(2-amino-1,1,3,3,3-pentafluoropropyl)oxolan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine
SMILESNC(C(F)(F)F)C(F)(F)C1CCC(C(F)(F)C(N)C(F)(F)F)O1
InChIInChI=1S/C10H12F10N2O/c11-7(12,5(21)9(15,16)17)3-1-2-4(23-3)8(13,14)6(22)10(18,19)20/h3-6H,1-2,21-22H2
InChIKeyZZJMMECQIKHLPJ-UHFFFAOYSA-N
MW366.20 g/mol
LogP2.58
Rot. Bonds4

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

1-[5-(2-amino-1,1,3,3,3-pentafluoropropyl)oxolan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine (PubChem CID 130427377) has the molecular formula C10H12F10N2O and a molecular weight of 366.20 g/mol. Its IUPAC name is 1-[5-(2-amino-1,1,3,3,3-pentafluoropropyl)oxolan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine.

Molecular Properties

Compound Name1-[5-(2-amino-1,1,3,3,3-pentafluoropropyl)oxolan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine
PubChem CID130427377
Molecular FormulaC10H12F10N2O
Molecular Weight366.20 g/mol
Exact Mass366.08
IUPAC Name1-[5-(2-amino-1,1,3,3,3-pentafluoropropyl)oxolan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine
SMILESNC(C(F)(F)F)C(F)(F)C1CCC(C(F)(F)C(N)C(F)(F)F)O1
InChIInChI=1S/C10H12F10N2O/c11-7(12,5(21)9(15,16)17)3-1-2-4(23-3)8(13,14)6(22)10(18,19)20/h3-6H,1-2,21-22H2
InChIKeyZZJMMECQIKHLPJ-UHFFFAOYSA-N
XLogP2.58
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.20
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-amino-1,1,3,3,3-pentafluoropropyl)oxolan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine?
The IUPAC name of 1-[5-(2-amino-1,1,3,3,3-pentafluoropropyl)oxolan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine (CID 130427377) is 1-[5-(2-amino-1,1,3,3,3-pentafluoropropyl)oxolan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine.
What is the SMILES notation for 1-[5-(2-amino-1,1,3,3,3-pentafluoropropyl)oxolan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine?
The canonical SMILES for 1-[5-(2-amino-1,1,3,3,3-pentafluoropropyl)oxolan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine is NC(C(F)(F)F)C(F)(F)C1CCC(C(F)(F)C(N)C(F)(F)F)O1.
What is the InChIKey of 1-[5-(2-amino-1,1,3,3,3-pentafluoropropyl)oxolan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine?
The InChIKey is ZZJMMECQIKHLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F10N2O/c11-7(12,5(21)9(15,16)17)3-1-2-4(23-3)8(13,14)6(22)10(18,19)20/h3-6H,1-2,21-22H2.
What are the key properties of 1-[5-(2-amino-1,1,3,3,3-pentafluoropropyl)oxolan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine?
1-[5-(2-amino-1,1,3,3,3-pentafluoropropyl)oxolan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine has a molecular weight of 366.20 g/mol, XLogP of 2.58, 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-1,1,3,3,3-pentafluoropropyl)oxolan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine is sourced from PubChem (CID 130427377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).