3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptan-1-amine

C7H6F11N — CID 56776451

IUPAC3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptan-1-amine
SMILESNCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H6F11N/c8-3(9,1-2-19)4(10,11)5(12,13)6(14,15)7(16,17)18/h1-2,19H2
InChIKeyGJWIRTQEBLHUMP-UHFFFAOYSA-N
MW313.11 g/mol
LogP3.44
Rot. Bonds5

About 3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptan-1-amine

3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptan-1-amine (PubChem CID 56776451) has the molecular formula C7H6F11N and a molecular weight of 313.11 g/mol. Its IUPAC name is 3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptan-1-amine.

Molecular Properties

Compound Name3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptan-1-amine
PubChem CID56776451
Molecular FormulaC7H6F11N
Molecular Weight313.11 g/mol
Exact Mass313.03
IUPAC Name3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptan-1-amine
SMILESNCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H6F11N/c8-3(9,1-2-19)4(10,11)5(12,13)6(14,15)7(16,17)18/h1-2,19H2
InChIKeyGJWIRTQEBLHUMP-UHFFFAOYSA-N
XLogP3.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.11
LogP ≤ 53.44
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 3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptan-1-amine?
The IUPAC name of 3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptan-1-amine (CID 56776451) is 3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptan-1-amine.
What is the SMILES notation for 3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptan-1-amine?
The canonical SMILES for 3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptan-1-amine is NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptan-1-amine?
The InChIKey is GJWIRTQEBLHUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F11N/c8-3(9,1-2-19)4(10,11)5(12,13)6(14,15)7(16,17)18/h1-2,19H2.
What are the key properties of 3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptan-1-amine?
3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptan-1-amine has a molecular weight of 313.11 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptan-1-amine is sourced from PubChem (CID 56776451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).