1,1,2,2,3,3,4,4,5,6,7,8,8-tridecafluorooctan-1-amine

C8H6F13N — CID 87524931

IUPAC1,1,2,2,3,3,4,4,5,6,7,8,8-tridecafluorooctan-1-amine
SMILESNC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)C(F)C(F)F
InChIInChI=1S/C8H6F13N/c9-1(2(10)4(12)13)3(11)5(14,15)6(16,17)7(18,19)8(20,21)22/h1-4H,22H2
InChIKeyWGEDGCHCATZMPP-UHFFFAOYSA-N
MW363.12 g/mol
LogP3.72
Rot. Bonds7

About 1,1,2,2,3,3,4,4,5,6,7,8,8-tridecafluorooctan-1-amine

1,1,2,2,3,3,4,4,5,6,7,8,8-tridecafluorooctan-1-amine (PubChem CID 87524931) has the molecular formula C8H6F13N and a molecular weight of 363.12 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,6,7,8,8-tridecafluorooctan-1-amine.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,6,7,8,8-tridecafluorooctan-1-amine
PubChem CID87524931
Molecular FormulaC8H6F13N
Molecular Weight363.12 g/mol
Exact Mass363.03
IUPAC Name1,1,2,2,3,3,4,4,5,6,7,8,8-tridecafluorooctan-1-amine
SMILESNC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)C(F)C(F)F
InChIInChI=1S/C8H6F13N/c9-1(2(10)4(12)13)3(11)5(14,15)6(16,17)7(18,19)8(20,21)22/h1-4H,22H2
InChIKeyWGEDGCHCATZMPP-UHFFFAOYSA-N
XLogP3.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.12
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,6,7,8,8-tridecafluorooctan-1-amine?
The IUPAC name of 1,1,2,2,3,3,4,4,5,6,7,8,8-tridecafluorooctan-1-amine (CID 87524931) is 1,1,2,2,3,3,4,4,5,6,7,8,8-tridecafluorooctan-1-amine.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,6,7,8,8-tridecafluorooctan-1-amine?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,6,7,8,8-tridecafluorooctan-1-amine is NC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)C(F)C(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,6,7,8,8-tridecafluorooctan-1-amine?
The InChIKey is WGEDGCHCATZMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F13N/c9-1(2(10)4(12)13)3(11)5(14,15)6(16,17)7(18,19)8(20,21)22/h1-4H,22H2.
What are the key properties of 1,1,2,2,3,3,4,4,5,6,7,8,8-tridecafluorooctan-1-amine?
1,1,2,2,3,3,4,4,5,6,7,8,8-tridecafluorooctan-1-amine has a molecular weight of 363.12 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,6,7,8,8-tridecafluorooctan-1-amine is sourced from PubChem (CID 87524931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).