4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-3-amine

C9H8F13N — CID 19915597

IUPAC4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-3-amine
SMILESCCC(N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H8F13N/c1-2-3(23)4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h3H,2,23H2,1H3
InChIKeyUBAZKVIQRZKRCU-UHFFFAOYSA-N
MW377.14 g/mol
LogP4.46
Rot. Bonds6

About 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-3-amine

4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-3-amine (PubChem CID 19915597) has the molecular formula C9H8F13N and a molecular weight of 377.14 g/mol. Its IUPAC name is 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-3-amine.

Molecular Properties

Compound Name4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-3-amine
PubChem CID19915597
Molecular FormulaC9H8F13N
Molecular Weight377.14 g/mol
Exact Mass377.04
IUPAC Name4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-3-amine
SMILESCCC(N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H8F13N/c1-2-3(23)4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h3H,2,23H2,1H3
InChIKeyUBAZKVIQRZKRCU-UHFFFAOYSA-N
XLogP4.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.14
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-3-amine?
The IUPAC name of 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-3-amine (CID 19915597) is 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-3-amine.
What is the SMILES notation for 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-3-amine?
The canonical SMILES for 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-3-amine is CCC(N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-3-amine?
The InChIKey is UBAZKVIQRZKRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F13N/c1-2-3(23)4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h3H,2,23H2,1H3.
What are the key properties of 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-3-amine?
4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-3-amine has a molecular weight of 377.14 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-3-amine is sourced from PubChem (CID 19915597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).