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

C8H4F15N — CID 54203807

IUPAC1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluorooctan-1-amine
SMILESNC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CF
InChIInChI=1S/C8H4F15N/c9-1-2(10,11)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)24/h1,24H2
InChIKeyPRCHXWLOTUMVAE-UHFFFAOYSA-N
MW399.10 g/mol
LogP4.32
Rot. Bonds7

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

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluorooctan-1-amine (PubChem CID 54203807) has the molecular formula C8H4F15N and a molecular weight of 399.10 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluorooctan-1-amine.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluorooctan-1-amine
PubChem CID54203807
Molecular FormulaC8H4F15N
Molecular Weight399.10 g/mol
Exact Mass399.01
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluorooctan-1-amine
SMILESNC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CF
InChIInChI=1S/C8H4F15N/c9-1-2(10,11)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)24/h1,24H2
InChIKeyPRCHXWLOTUMVAE-UHFFFAOYSA-N
XLogP4.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.10
LogP ≤ 54.32
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 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluorooctan-1-amine?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluorooctan-1-amine (CID 54203807) is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluorooctan-1-amine.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluorooctan-1-amine?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluorooctan-1-amine is NC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CF.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluorooctan-1-amine?
The InChIKey is PRCHXWLOTUMVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F15N/c9-1-2(10,11)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)24/h1,24H2.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluorooctan-1-amine?
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluorooctan-1-amine has a molecular weight of 399.10 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluorooctan-1-amine is sourced from PubChem (CID 54203807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).