3,3,4,4,5,5,6,6,6-nonafluoro-N-methylhexan-1-amine

C7H8F9N — CID 11778243

IUPAC3,3,4,4,5,5,6,6,6-nonafluoro-N-methylhexan-1-amine
SMILESCNCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H8F9N/c1-17-3-2-4(8,9)5(10,11)6(12,13)7(14,15)16/h17H,2-3H2,1H3
InChIKeyYIEYDQIWFQKIOR-UHFFFAOYSA-N
MW277.13 g/mol
LogP3.06
Rot. Bonds5

About 3,3,4,4,5,5,6,6,6-nonafluoro-N-methylhexan-1-amine

3,3,4,4,5,5,6,6,6-nonafluoro-N-methylhexan-1-amine (PubChem CID 11778243) has the molecular formula C7H8F9N and a molecular weight of 277.13 g/mol. Its IUPAC name is 3,3,4,4,5,5,6,6,6-nonafluoro-N-methylhexan-1-amine.

Molecular Properties

Compound Name3,3,4,4,5,5,6,6,6-nonafluoro-N-methylhexan-1-amine
PubChem CID11778243
Molecular FormulaC7H8F9N
Molecular Weight277.13 g/mol
Exact Mass277.05
IUPAC Name3,3,4,4,5,5,6,6,6-nonafluoro-N-methylhexan-1-amine
SMILESCNCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H8F9N/c1-17-3-2-4(8,9)5(10,11)6(12,13)7(14,15)16/h17H,2-3H2,1H3
InChIKeyYIEYDQIWFQKIOR-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.13
LogP ≤ 53.06
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 3,3,4,4,5,5,6,6,6-nonafluoro-N-methylhexan-1-amine?
The IUPAC name of 3,3,4,4,5,5,6,6,6-nonafluoro-N-methylhexan-1-amine (CID 11778243) is 3,3,4,4,5,5,6,6,6-nonafluoro-N-methylhexan-1-amine.
What is the SMILES notation for 3,3,4,4,5,5,6,6,6-nonafluoro-N-methylhexan-1-amine?
The canonical SMILES for 3,3,4,4,5,5,6,6,6-nonafluoro-N-methylhexan-1-amine is CNCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3,3,4,4,5,5,6,6,6-nonafluoro-N-methylhexan-1-amine?
The InChIKey is YIEYDQIWFQKIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F9N/c1-17-3-2-4(8,9)5(10,11)6(12,13)7(14,15)16/h17H,2-3H2,1H3.
What are the key properties of 3,3,4,4,5,5,6,6,6-nonafluoro-N-methylhexan-1-amine?
3,3,4,4,5,5,6,6,6-nonafluoro-N-methylhexan-1-amine has a molecular weight of 277.13 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,6,6,6-nonafluoro-N-methylhexan-1-amine is sourced from PubChem (CID 11778243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).