1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluoroheptan-1-amine

C7H4F13N — CID 87423237

IUPAC1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluoroheptan-1-amine
SMILESNC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CF
InChIInChI=1S/C7H4F13N/c8-1-2(9,10)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)21/h1,21H2
InChIKeyRBYRKWXWCLSSRP-UHFFFAOYSA-N
MW349.09 g/mol
LogP3.68
Rot. Bonds6

About 1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluoroheptan-1-amine

1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluoroheptan-1-amine (PubChem CID 87423237) has the molecular formula C7H4F13N and a molecular weight of 349.09 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluoroheptan-1-amine.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluoroheptan-1-amine
PubChem CID87423237
Molecular FormulaC7H4F13N
Molecular Weight349.09 g/mol
Exact Mass349.01
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluoroheptan-1-amine
SMILESNC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CF
InChIInChI=1S/C7H4F13N/c8-1-2(9,10)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)21/h1,21H2
InChIKeyRBYRKWXWCLSSRP-UHFFFAOYSA-N
XLogP3.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.09
LogP ≤ 53.68
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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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluoroheptan-1-amine?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluoroheptan-1-amine (CID 87423237) is 1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluoroheptan-1-amine.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluoroheptan-1-amine?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluoroheptan-1-amine is NC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CF.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluoroheptan-1-amine?
The InChIKey is RBYRKWXWCLSSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F13N/c8-1-2(9,10)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)21/h1,21H2.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluoroheptan-1-amine?
1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluoroheptan-1-amine has a molecular weight of 349.09 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluoroheptan-1-amine is sourced from PubChem (CID 87423237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).