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

C7H4F13N — CID 87423241

IUPAC1,1,2,2,3,3,4,4,5,5,7,7,7-tridecafluoroheptan-1-amine
SMILESNC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)F
InChIInChI=1S/C7H4F13N/c8-2(9,1-3(10,11)12)4(13,14)5(15,16)6(17,18)7(19,20)21/h1,21H2
InChIKeyQSTQXEQUVBFPIO-UHFFFAOYSA-N
MW349.09 g/mol
LogP4.03
Rot. Bonds5

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

1,1,2,2,3,3,4,4,5,5,7,7,7-tridecafluoroheptan-1-amine (PubChem CID 87423241) has the molecular formula C7H4F13N and a molecular weight of 349.09 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,7,7,7-tridecafluoroheptan-1-amine.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,7,7,7-tridecafluoroheptan-1-amine
PubChem CID87423241
Molecular FormulaC7H4F13N
Molecular Weight349.09 g/mol
Exact Mass349.01
IUPAC Name1,1,2,2,3,3,4,4,5,5,7,7,7-tridecafluoroheptan-1-amine
SMILESNC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)F
InChIInChI=1S/C7H4F13N/c8-2(9,1-3(10,11)12)4(13,14)5(15,16)6(17,18)7(19,20)21/h1,21H2
InChIKeyQSTQXEQUVBFPIO-UHFFFAOYSA-N
XLogP4.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.09
LogP ≤ 54.03
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 1,1,2,2,3,3,4,4,5,5,7,7,7-tridecafluoroheptan-1-amine?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,7,7,7-tridecafluoroheptan-1-amine (CID 87423241) is 1,1,2,2,3,3,4,4,5,5,7,7,7-tridecafluoroheptan-1-amine.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,7,7,7-tridecafluoroheptan-1-amine?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,7,7,7-tridecafluoroheptan-1-amine is NC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,7,7,7-tridecafluoroheptan-1-amine?
The InChIKey is QSTQXEQUVBFPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F13N/c8-2(9,1-3(10,11)12)4(13,14)5(15,16)6(17,18)7(19,20)21/h1,21H2.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,7,7,7-tridecafluoroheptan-1-amine?
1,1,2,2,3,3,4,4,5,5,7,7,7-tridecafluoroheptan-1-amine has a molecular weight of 349.09 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,7,7,7-tridecafluoroheptan-1-amine is sourced from PubChem (CID 87423241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).