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

C11H14F10N2O — CID 130427210

IUPAC1-[6-(2-amino-1,1,3,3,3-pentafluoropropyl)oxan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine
SMILESNC(C(F)(F)F)C(F)(F)C1CCCC(C(F)(F)C(N)C(F)(F)F)O1
InChIInChI=1S/C11H14F10N2O/c12-8(13,6(22)10(16,17)18)4-2-1-3-5(24-4)9(14,15)7(23)11(19,20)21/h4-7H,1-3,22-23H2
InChIKeyMMDGMXJGBCJGIB-UHFFFAOYSA-N
MW380.23 g/mol
LogP2.97
Rot. Bonds4

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

1-[6-(2-amino-1,1,3,3,3-pentafluoropropyl)oxan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine (PubChem CID 130427210) has the molecular formula C11H14F10N2O and a molecular weight of 380.23 g/mol. Its IUPAC name is 1-[6-(2-amino-1,1,3,3,3-pentafluoropropyl)oxan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine.

Molecular Properties

Compound Name1-[6-(2-amino-1,1,3,3,3-pentafluoropropyl)oxan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine
PubChem CID130427210
Molecular FormulaC11H14F10N2O
Molecular Weight380.23 g/mol
Exact Mass380.09
IUPAC Name1-[6-(2-amino-1,1,3,3,3-pentafluoropropyl)oxan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine
SMILESNC(C(F)(F)F)C(F)(F)C1CCCC(C(F)(F)C(N)C(F)(F)F)O1
InChIInChI=1S/C11H14F10N2O/c12-8(13,6(22)10(16,17)18)4-2-1-3-5(24-4)9(14,15)7(23)11(19,20)21/h4-7H,1-3,22-23H2
InChIKeyMMDGMXJGBCJGIB-UHFFFAOYSA-N
XLogP2.97
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[6-(2-amino-1,1,3,3,3-pentafluoropropyl)oxan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-amino-1,1,3,3,3-pentafluoropropyl)oxan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine?
The IUPAC name of 1-[6-(2-amino-1,1,3,3,3-pentafluoropropyl)oxan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine (CID 130427210) is 1-[6-(2-amino-1,1,3,3,3-pentafluoropropyl)oxan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine.
What is the SMILES notation for 1-[6-(2-amino-1,1,3,3,3-pentafluoropropyl)oxan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine?
The canonical SMILES for 1-[6-(2-amino-1,1,3,3,3-pentafluoropropyl)oxan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine is NC(C(F)(F)F)C(F)(F)C1CCCC(C(F)(F)C(N)C(F)(F)F)O1.
What is the InChIKey of 1-[6-(2-amino-1,1,3,3,3-pentafluoropropyl)oxan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine?
The InChIKey is MMDGMXJGBCJGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F10N2O/c12-8(13,6(22)10(16,17)18)4-2-1-3-5(24-4)9(14,15)7(23)11(19,20)21/h4-7H,1-3,22-23H2.
What are the key properties of 1-[6-(2-amino-1,1,3,3,3-pentafluoropropyl)oxan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine?
1-[6-(2-amino-1,1,3,3,3-pentafluoropropyl)oxan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine has a molecular weight of 380.23 g/mol, XLogP of 2.97, 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-1,1,3,3,3-pentafluoropropyl)oxan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine is sourced from PubChem (CID 130427210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).