4,4,5,5,6,6,7,7,7-nonafluoroheptan-1-amine

C7H8F9N — CID 22013473

IUPAC4,4,5,5,6,6,7,7,7-nonafluoroheptan-1-amine
SMILESNCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H8F9N/c8-4(9,2-1-3-17)5(10,11)6(12,13)7(14,15)16/h1-3,17H2
InChIKeyWEMSKMWILHOKHG-UHFFFAOYSA-N
MW277.13 g/mol
LogP3.19
Rot. Bonds5

About 4,4,5,5,6,6,7,7,7-nonafluoroheptan-1-amine

4,4,5,5,6,6,7,7,7-nonafluoroheptan-1-amine (PubChem CID 22013473) has the molecular formula C7H8F9N and a molecular weight of 277.13 g/mol. Its IUPAC name is 4,4,5,5,6,6,7,7,7-nonafluoroheptan-1-amine.

Molecular Properties

Compound Name4,4,5,5,6,6,7,7,7-nonafluoroheptan-1-amine
PubChem CID22013473
Molecular FormulaC7H8F9N
Molecular Weight277.13 g/mol
Exact Mass277.05
IUPAC Name4,4,5,5,6,6,7,7,7-nonafluoroheptan-1-amine
SMILESNCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H8F9N/c8-4(9,2-1-3-17)5(10,11)6(12,13)7(14,15)16/h1-3,17H2
InChIKeyWEMSKMWILHOKHG-UHFFFAOYSA-N
XLogP3.19
TPSA26.02 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 ≤ 53.19
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 4,4,5,5,6,6,7,7,7-nonafluoroheptan-1-amine?
The IUPAC name of 4,4,5,5,6,6,7,7,7-nonafluoroheptan-1-amine (CID 22013473) is 4,4,5,5,6,6,7,7,7-nonafluoroheptan-1-amine.
What is the SMILES notation for 4,4,5,5,6,6,7,7,7-nonafluoroheptan-1-amine?
The canonical SMILES for 4,4,5,5,6,6,7,7,7-nonafluoroheptan-1-amine is NCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 4,4,5,5,6,6,7,7,7-nonafluoroheptan-1-amine?
The InChIKey is WEMSKMWILHOKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F9N/c8-4(9,2-1-3-17)5(10,11)6(12,13)7(14,15)16/h1-3,17H2.
What are the key properties of 4,4,5,5,6,6,7,7,7-nonafluoroheptan-1-amine?
4,4,5,5,6,6,7,7,7-nonafluoroheptan-1-amine has a molecular weight of 277.13 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,6,6,7,7,7-nonafluoroheptan-1-amine is sourced from PubChem (CID 22013473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).