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

C10H12F10N2O — CID 130427375

IUPAC2-[5-(3-amino-1,1,1,2,3-pentafluoropropan-2-yl)oxolan-2-yl]-1,2,3,3,3-pentafluoropropan-1-amine
SMILESNC(F)C(F)(C1CCC(C(F)(C(N)F)C(F)(F)F)O1)C(F)(F)F
InChIInChI=1S/C10H12F10N2O/c11-5(21)7(13,9(15,16)17)3-1-2-4(23-3)8(14,6(12)22)10(18,19)20/h3-6H,1-2,21-22H2
InChIKeyUVKLCBSGHWYLFT-UHFFFAOYSA-N
MW366.20 g/mol
LogP2.58
Rot. Bonds4

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

2-[5-(3-amino-1,1,1,2,3-pentafluoropropan-2-yl)oxolan-2-yl]-1,2,3,3,3-pentafluoropropan-1-amine (PubChem CID 130427375) has the molecular formula C10H12F10N2O and a molecular weight of 366.20 g/mol. Its IUPAC name is 2-[5-(3-amino-1,1,1,2,3-pentafluoropropan-2-yl)oxolan-2-yl]-1,2,3,3,3-pentafluoropropan-1-amine.

Molecular Properties

Compound Name2-[5-(3-amino-1,1,1,2,3-pentafluoropropan-2-yl)oxolan-2-yl]-1,2,3,3,3-pentafluoropropan-1-amine
PubChem CID130427375
Molecular FormulaC10H12F10N2O
Molecular Weight366.20 g/mol
Exact Mass366.08
IUPAC Name2-[5-(3-amino-1,1,1,2,3-pentafluoropropan-2-yl)oxolan-2-yl]-1,2,3,3,3-pentafluoropropan-1-amine
SMILESNC(F)C(F)(C1CCC(C(F)(C(N)F)C(F)(F)F)O1)C(F)(F)F
InChIInChI=1S/C10H12F10N2O/c11-5(21)7(13,9(15,16)17)3-1-2-4(23-3)8(14,6(12)22)10(18,19)20/h3-6H,1-2,21-22H2
InChIKeyUVKLCBSGHWYLFT-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

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-(3-amino-1,1,1,2,3-pentafluoropropan-2-yl)oxolan-2-yl]-1,2,3,3,3-pentafluoropropan-1-amine?
The IUPAC name of 2-[5-(3-amino-1,1,1,2,3-pentafluoropropan-2-yl)oxolan-2-yl]-1,2,3,3,3-pentafluoropropan-1-amine (CID 130427375) is 2-[5-(3-amino-1,1,1,2,3-pentafluoropropan-2-yl)oxolan-2-yl]-1,2,3,3,3-pentafluoropropan-1-amine.
What is the SMILES notation for 2-[5-(3-amino-1,1,1,2,3-pentafluoropropan-2-yl)oxolan-2-yl]-1,2,3,3,3-pentafluoropropan-1-amine?
The canonical SMILES for 2-[5-(3-amino-1,1,1,2,3-pentafluoropropan-2-yl)oxolan-2-yl]-1,2,3,3,3-pentafluoropropan-1-amine is NC(F)C(F)(C1CCC(C(F)(C(N)F)C(F)(F)F)O1)C(F)(F)F.
What is the InChIKey of 2-[5-(3-amino-1,1,1,2,3-pentafluoropropan-2-yl)oxolan-2-yl]-1,2,3,3,3-pentafluoropropan-1-amine?
The InChIKey is UVKLCBSGHWYLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F10N2O/c11-5(21)7(13,9(15,16)17)3-1-2-4(23-3)8(14,6(12)22)10(18,19)20/h3-6H,1-2,21-22H2.
What are the key properties of 2-[5-(3-amino-1,1,1,2,3-pentafluoropropan-2-yl)oxolan-2-yl]-1,2,3,3,3-pentafluoropropan-1-amine?
2-[5-(3-amino-1,1,1,2,3-pentafluoropropan-2-yl)oxolan-2-yl]-1,2,3,3,3-pentafluoropropan-1-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 2-[5-(3-amino-1,1,1,2,3-pentafluoropropan-2-yl)oxolan-2-yl]-1,2,3,3,3-pentafluoropropan-1-amine is sourced from PubChem (CID 130427375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).