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

C9H12F8N2O — CID 130427371

IUPAC2-[5-(2-amino-1,1,2-trifluoroethyl)oxolan-2-yl]-1,2,3,3,3-pentafluoropropan-1-amine
SMILESNC(F)C(F)(F)C1CCC(C(F)(C(N)F)C(F)(F)F)O1
InChIInChI=1S/C9H12F8N2O/c10-5(18)7(12,9(15,16)17)3-1-2-4(20-3)8(13,14)6(11)19/h3-6H,1-2,18-19H2
InChIKeyOVJCKVKEQXZGID-UHFFFAOYSA-N
MW316.19 g/mol
LogP1.95
Rot. Bonds4

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

2-[5-(2-amino-1,1,2-trifluoroethyl)oxolan-2-yl]-1,2,3,3,3-pentafluoropropan-1-amine (PubChem CID 130427371) has the molecular formula C9H12F8N2O and a molecular weight of 316.19 g/mol. Its IUPAC name is 2-[5-(2-amino-1,1,2-trifluoroethyl)oxolan-2-yl]-1,2,3,3,3-pentafluoropropan-1-amine.

Molecular Properties

Compound Name2-[5-(2-amino-1,1,2-trifluoroethyl)oxolan-2-yl]-1,2,3,3,3-pentafluoropropan-1-amine
PubChem CID130427371
Molecular FormulaC9H12F8N2O
Molecular Weight316.19 g/mol
Exact Mass316.08
IUPAC Name2-[5-(2-amino-1,1,2-trifluoroethyl)oxolan-2-yl]-1,2,3,3,3-pentafluoropropan-1-amine
SMILESNC(F)C(F)(F)C1CCC(C(F)(C(N)F)C(F)(F)F)O1
InChIInChI=1S/C9H12F8N2O/c10-5(18)7(12,9(15,16)17)3-1-2-4(20-3)8(13,14)6(11)19/h3-6H,1-2,18-19H2
InChIKeyOVJCKVKEQXZGID-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 2-[5-(2-amino-1,1,2-trifluoroethyl)oxolan-2-yl]-1,2,3,3,3-pentafluoropropan-1-amine?
The IUPAC name of 2-[5-(2-amino-1,1,2-trifluoroethyl)oxolan-2-yl]-1,2,3,3,3-pentafluoropropan-1-amine (CID 130427371) is 2-[5-(2-amino-1,1,2-trifluoroethyl)oxolan-2-yl]-1,2,3,3,3-pentafluoropropan-1-amine.
What is the SMILES notation for 2-[5-(2-amino-1,1,2-trifluoroethyl)oxolan-2-yl]-1,2,3,3,3-pentafluoropropan-1-amine?
The canonical SMILES for 2-[5-(2-amino-1,1,2-trifluoroethyl)oxolan-2-yl]-1,2,3,3,3-pentafluoropropan-1-amine is NC(F)C(F)(F)C1CCC(C(F)(C(N)F)C(F)(F)F)O1.
What is the InChIKey of 2-[5-(2-amino-1,1,2-trifluoroethyl)oxolan-2-yl]-1,2,3,3,3-pentafluoropropan-1-amine?
The InChIKey is OVJCKVKEQXZGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F8N2O/c10-5(18)7(12,9(15,16)17)3-1-2-4(20-3)8(13,14)6(11)19/h3-6H,1-2,18-19H2.
What are the key properties of 2-[5-(2-amino-1,1,2-trifluoroethyl)oxolan-2-yl]-1,2,3,3,3-pentafluoropropan-1-amine?
2-[5-(2-amino-1,1,2-trifluoroethyl)oxolan-2-yl]-1,2,3,3,3-pentafluoropropan-1-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 2-[5-(2-amino-1,1,2-trifluoroethyl)oxolan-2-yl]-1,2,3,3,3-pentafluoropropan-1-amine is sourced from PubChem (CID 130427371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).