1,1,2,3,3,4,4,5,5,5-decafluoro-2-methyl-N-propylpentan-1-amine

C9H11F10N — CID 19761948

IUPAC1,1,2,3,3,4,4,5,5,5-decafluoro-2-methyl-N-propylpentan-1-amine
SMILESCCCNC(F)(F)C(C)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H11F10N/c1-3-4-20-9(18,19)5(2,10)6(11,12)7(13,14)8(15,16)17/h20H,3-4H2,1-2H3
InChIKeyCAWLYIGUEHHJAV-UHFFFAOYSA-N
MW323.17 g/mol
LogP4.14
Rot. Bonds6

About 1,1,2,3,3,4,4,5,5,5-decafluoro-2-methyl-N-propylpentan-1-amine

1,1,2,3,3,4,4,5,5,5-decafluoro-2-methyl-N-propylpentan-1-amine (PubChem CID 19761948) has the molecular formula C9H11F10N and a molecular weight of 323.17 g/mol. Its IUPAC name is 1,1,2,3,3,4,4,5,5,5-decafluoro-2-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1,1,2,3,3,4,4,5,5,5-decafluoro-2-methyl-N-propylpentan-1-amine
PubChem CID19761948
Molecular FormulaC9H11F10N
Molecular Weight323.17 g/mol
Exact Mass323.07
IUPAC Name1,1,2,3,3,4,4,5,5,5-decafluoro-2-methyl-N-propylpentan-1-amine
SMILESCCCNC(F)(F)C(C)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H11F10N/c1-3-4-20-9(18,19)5(2,10)6(11,12)7(13,14)8(15,16)17/h20H,3-4H2,1-2H3
InChIKeyCAWLYIGUEHHJAV-UHFFFAOYSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.17
LogP ≤ 54.14
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 1,1,2,3,3,4,4,5,5,5-decafluoro-2-methyl-N-propylpentan-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 1,1,2,3,3,4,4,5,5,5-decafluoro-2-methyl-N-propylpentan-1-amine?
The IUPAC name of 1,1,2,3,3,4,4,5,5,5-decafluoro-2-methyl-N-propylpentan-1-amine (CID 19761948) is 1,1,2,3,3,4,4,5,5,5-decafluoro-2-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1,1,2,3,3,4,4,5,5,5-decafluoro-2-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1,1,2,3,3,4,4,5,5,5-decafluoro-2-methyl-N-propylpentan-1-amine is CCCNC(F)(F)C(C)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,3,3,4,4,5,5,5-decafluoro-2-methyl-N-propylpentan-1-amine?
The InChIKey is CAWLYIGUEHHJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F10N/c1-3-4-20-9(18,19)5(2,10)6(11,12)7(13,14)8(15,16)17/h20H,3-4H2,1-2H3.
What are the key properties of 1,1,2,3,3,4,4,5,5,5-decafluoro-2-methyl-N-propylpentan-1-amine?
1,1,2,3,3,4,4,5,5,5-decafluoro-2-methyl-N-propylpentan-1-amine has a molecular weight of 323.17 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3,4,4,5,5,5-decafluoro-2-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 19761948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).