1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorononan-1-amine

C9H4F17N — CID 87467900

IUPAC1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorononan-1-amine
SMILESNC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C9H4F17N/c10-1(11)3(13,14)5(17,18)7(21,22)9(25,26)8(23,24)6(19,20)4(15,16)2(12)27/h1-2H,27H2
InChIKeyVZUGCWJIPBWJMH-UHFFFAOYSA-N
MW449.10 g/mol
LogP4.95
Rot. Bonds8

About 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorononan-1-amine

1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorononan-1-amine (PubChem CID 87467900) has the molecular formula C9H4F17N and a molecular weight of 449.10 g/mol. Its IUPAC name is 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorononan-1-amine.

Molecular Properties

Compound Name1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorononan-1-amine
PubChem CID87467900
Molecular FormulaC9H4F17N
Molecular Weight449.10 g/mol
Exact Mass449.01
IUPAC Name1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorononan-1-amine
SMILESNC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C9H4F17N/c10-1(11)3(13,14)5(17,18)7(21,22)9(25,26)8(23,24)6(19,20)4(15,16)2(12)27/h1-2H,27H2
InChIKeyVZUGCWJIPBWJMH-UHFFFAOYSA-N
XLogP4.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.10
LogP ≤ 54.95
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorononan-1-amine?
The IUPAC name of 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorononan-1-amine (CID 87467900) is 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorononan-1-amine.
What is the SMILES notation for 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorononan-1-amine?
The canonical SMILES for 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorononan-1-amine is NC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorononan-1-amine?
The InChIKey is VZUGCWJIPBWJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F17N/c10-1(11)3(13,14)5(17,18)7(21,22)9(25,26)8(23,24)6(19,20)4(15,16)2(12)27/h1-2H,27H2.
What are the key properties of 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorononan-1-amine?
1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorononan-1-amine has a molecular weight of 449.10 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorononan-1-amine is sourced from PubChem (CID 87467900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).