1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-icosafluoro-N,9-dimethyldecan-1-amine

C12H7F20N — CID 87786735

IUPAC1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-icosafluoro-N,9-dimethyldecan-1-amine
SMILESCNC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)(F)C(F)(F)F
InChIInChI=1S/C12H7F20N/c1-3(13,11(28,29)30)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)12(31,32)33-2/h33H,1-2H3
InChIKeyXYZRYIBEJQNWSM-UHFFFAOYSA-N
MW545.16 g/mol
LogP6.54
Rot. Bonds9

About 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-icosafluoro-N,9-dimethyldecan-1-amine

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-icosafluoro-N,9-dimethyldecan-1-amine (PubChem CID 87786735) has the molecular formula C12H7F20N and a molecular weight of 545.16 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-icosafluoro-N,9-dimethyldecan-1-amine.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-icosafluoro-N,9-dimethyldecan-1-amine
PubChem CID87786735
Molecular FormulaC12H7F20N
Molecular Weight545.16 g/mol
Exact Mass545.03
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-icosafluoro-N,9-dimethyldecan-1-amine
SMILESCNC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)(F)C(F)(F)F
InChIInChI=1S/C12H7F20N/c1-3(13,11(28,29)30)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)12(31,32)33-2/h33H,1-2H3
InChIKeyXYZRYIBEJQNWSM-UHFFFAOYSA-N
XLogP6.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.16
LogP ≤ 56.54
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'}

Analyze 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-icosafluoro-N,9-dimethyldecan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-icosafluoro-N,9-dimethyldecan-1-amine?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-icosafluoro-N,9-dimethyldecan-1-amine (CID 87786735) is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-icosafluoro-N,9-dimethyldecan-1-amine.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-icosafluoro-N,9-dimethyldecan-1-amine?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-icosafluoro-N,9-dimethyldecan-1-amine is CNC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-icosafluoro-N,9-dimethyldecan-1-amine?
The InChIKey is XYZRYIBEJQNWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F20N/c1-3(13,11(28,29)30)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)12(31,32)33-2/h33H,1-2H3.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-icosafluoro-N,9-dimethyldecan-1-amine?
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-icosafluoro-N,9-dimethyldecan-1-amine has a molecular weight of 545.16 g/mol, XLogP of 6.54, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-icosafluoro-N,9-dimethyldecan-1-amine is sourced from PubChem (CID 87786735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).