3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-N-methyl-9-(trifluoromethyl)decan-1-amine

C12H8F19N — CID 87786734

IUPAC3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-N-methyl-9-(trifluoromethyl)decan-1-amine
SMILESCNCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H8F19N/c1-32-3-2-4(13,14)6(16,17)8(20,21)10(24,25)9(22,23)7(18,19)5(15,11(26,27)28)12(29,30)31/h32H,2-3H2,1H3
InChIKeyAUJBFBZTHXOIIN-UHFFFAOYSA-N
MW527.17 g/mol
LogP6.24
Rot. Bonds9

About 3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-N-methyl-9-(trifluoromethyl)decan-1-amine

3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-N-methyl-9-(trifluoromethyl)decan-1-amine (PubChem CID 87786734) has the molecular formula C12H8F19N and a molecular weight of 527.17 g/mol. Its IUPAC name is 3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-N-methyl-9-(trifluoromethyl)decan-1-amine.

Molecular Properties

Compound Name3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-N-methyl-9-(trifluoromethyl)decan-1-amine
PubChem CID87786734
Molecular FormulaC12H8F19N
Molecular Weight527.17 g/mol
Exact Mass527.04
IUPAC Name3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-N-methyl-9-(trifluoromethyl)decan-1-amine
SMILESCNCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H8F19N/c1-32-3-2-4(13,14)6(16,17)8(20,21)10(24,25)9(22,23)7(18,19)5(15,11(26,27)28)12(29,30)31/h32H,2-3H2,1H3
InChIKeyAUJBFBZTHXOIIN-UHFFFAOYSA-N
XLogP6.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.17
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-N-methyl-9-(trifluoromethyl)decan-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 3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-N-methyl-9-(trifluoromethyl)decan-1-amine?
The IUPAC name of 3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-N-methyl-9-(trifluoromethyl)decan-1-amine (CID 87786734) is 3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-N-methyl-9-(trifluoromethyl)decan-1-amine.
What is the SMILES notation for 3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-N-methyl-9-(trifluoromethyl)decan-1-amine?
The canonical SMILES for 3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-N-methyl-9-(trifluoromethyl)decan-1-amine is CNCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-N-methyl-9-(trifluoromethyl)decan-1-amine?
The InChIKey is AUJBFBZTHXOIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F19N/c1-32-3-2-4(13,14)6(16,17)8(20,21)10(24,25)9(22,23)7(18,19)5(15,11(26,27)28)12(29,30)31/h32H,2-3H2,1H3.
What are the key properties of 3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-N-methyl-9-(trifluoromethyl)decan-1-amine?
3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-N-methyl-9-(trifluoromethyl)decan-1-amine has a molecular weight of 527.17 g/mol, XLogP of 6.24, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-N-methyl-9-(trifluoromethyl)decan-1-amine is sourced from PubChem (CID 87786734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).