3,4,5,5,6,6,7,7,8,8-decafluoroquinolin-2-amine

C9H2F10N2 — CID 162535838

IUPAC3,4,5,5,6,6,7,7,8,8-decafluoroquinolin-2-amine
SMILESNc1nc2c(c(F)c1F)C(F)(F)C(F)(F)C(F)(F)C2(F)F
InChIInChI=1S/C9H2F10N2/c10-2-1-4(21-5(20)3(2)11)7(14,15)9(18,19)8(16,17)6(1,12)13/h(H2,20,21)
InChIKeyFFJDKJVHVXTFLH-UHFFFAOYSA-N
MW328.11 g/mol
LogP3.41
Rot. Bonds

About 3,4,5,5,6,6,7,7,8,8-decafluoroquinolin-2-amine

3,4,5,5,6,6,7,7,8,8-decafluoroquinolin-2-amine (PubChem CID 162535838) has the molecular formula C9H2F10N2 and a molecular weight of 328.11 g/mol. Its IUPAC name is 3,4,5,5,6,6,7,7,8,8-decafluoroquinolin-2-amine.

Molecular Properties

Compound Name3,4,5,5,6,6,7,7,8,8-decafluoroquinolin-2-amine
PubChem CID162535838
Molecular FormulaC9H2F10N2
Molecular Weight328.11 g/mol
Exact Mass328.01
IUPAC Name3,4,5,5,6,6,7,7,8,8-decafluoroquinolin-2-amine
SMILESNc1nc2c(c(F)c1F)C(F)(F)C(F)(F)C(F)(F)C2(F)F
InChIInChI=1S/C9H2F10N2/c10-2-1-4(21-5(20)3(2)11)7(14,15)9(18,19)8(16,17)6(1,12)13/h(H2,20,21)
InChIKeyFFJDKJVHVXTFLH-UHFFFAOYSA-N
XLogP3.41
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.11
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3,4,5,5,6,6,7,7,8,8-decafluoroquinolin-2-amine?
The IUPAC name of 3,4,5,5,6,6,7,7,8,8-decafluoroquinolin-2-amine (CID 162535838) is 3,4,5,5,6,6,7,7,8,8-decafluoroquinolin-2-amine.
What is the SMILES notation for 3,4,5,5,6,6,7,7,8,8-decafluoroquinolin-2-amine?
The canonical SMILES for 3,4,5,5,6,6,7,7,8,8-decafluoroquinolin-2-amine is Nc1nc2c(c(F)c1F)C(F)(F)C(F)(F)C(F)(F)C2(F)F.
What is the InChIKey of 3,4,5,5,6,6,7,7,8,8-decafluoroquinolin-2-amine?
The InChIKey is FFJDKJVHVXTFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H2F10N2/c10-2-1-4(21-5(20)3(2)11)7(14,15)9(18,19)8(16,17)6(1,12)13/h(H2,20,21).
What are the key properties of 3,4,5,5,6,6,7,7,8,8-decafluoroquinolin-2-amine?
3,4,5,5,6,6,7,7,8,8-decafluoroquinolin-2-amine has a molecular weight of 328.11 g/mol, XLogP of 3.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,5,6,6,7,7,8,8-decafluoroquinolin-2-amine is sourced from PubChem (CID 162535838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).