1,1,2,3,3,4,5,5,5-nonafluoro-2,4-dimethyl-N-propylpentan-1-amine

C10H14F9N — CID 19761954

IUPAC1,1,2,3,3,4,5,5,5-nonafluoro-2,4-dimethyl-N-propylpentan-1-amine
SMILESCCCNC(F)(F)C(C)(F)C(F)(F)C(C)(F)C(F)(F)F
InChIInChI=1S/C10H14F9N/c1-4-5-20-10(18,19)7(3,12)8(13,14)6(2,11)9(15,16)17/h20H,4-5H2,1-3H3
InChIKeySPQIVIKXCUEKLV-UHFFFAOYSA-N
MW319.21 g/mol
LogP4.23
Rot. Bonds6

About 1,1,2,3,3,4,5,5,5-nonafluoro-2,4-dimethyl-N-propylpentan-1-amine

1,1,2,3,3,4,5,5,5-nonafluoro-2,4-dimethyl-N-propylpentan-1-amine (PubChem CID 19761954) has the molecular formula C10H14F9N and a molecular weight of 319.21 g/mol. Its IUPAC name is 1,1,2,3,3,4,5,5,5-nonafluoro-2,4-dimethyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1,1,2,3,3,4,5,5,5-nonafluoro-2,4-dimethyl-N-propylpentan-1-amine
PubChem CID19761954
Molecular FormulaC10H14F9N
Molecular Weight319.21 g/mol
Exact Mass319.10
IUPAC Name1,1,2,3,3,4,5,5,5-nonafluoro-2,4-dimethyl-N-propylpentan-1-amine
SMILESCCCNC(F)(F)C(C)(F)C(F)(F)C(C)(F)C(F)(F)F
InChIInChI=1S/C10H14F9N/c1-4-5-20-10(18,19)7(3,12)8(13,14)6(2,11)9(15,16)17/h20H,4-5H2,1-3H3
InChIKeySPQIVIKXCUEKLV-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.21
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 1,1,2,3,3,4,5,5,5-nonafluoro-2,4-dimethyl-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 1,1,2,3,3,4,5,5,5-nonafluoro-2,4-dimethyl-N-propylpentan-1-amine?
The IUPAC name of 1,1,2,3,3,4,5,5,5-nonafluoro-2,4-dimethyl-N-propylpentan-1-amine (CID 19761954) is 1,1,2,3,3,4,5,5,5-nonafluoro-2,4-dimethyl-N-propylpentan-1-amine.
What is the SMILES notation for 1,1,2,3,3,4,5,5,5-nonafluoro-2,4-dimethyl-N-propylpentan-1-amine?
The canonical SMILES for 1,1,2,3,3,4,5,5,5-nonafluoro-2,4-dimethyl-N-propylpentan-1-amine is CCCNC(F)(F)C(C)(F)C(F)(F)C(C)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,3,3,4,5,5,5-nonafluoro-2,4-dimethyl-N-propylpentan-1-amine?
The InChIKey is SPQIVIKXCUEKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F9N/c1-4-5-20-10(18,19)7(3,12)8(13,14)6(2,11)9(15,16)17/h20H,4-5H2,1-3H3.
What are the key properties of 1,1,2,3,3,4,5,5,5-nonafluoro-2,4-dimethyl-N-propylpentan-1-amine?
1,1,2,3,3,4,5,5,5-nonafluoro-2,4-dimethyl-N-propylpentan-1-amine has a molecular weight of 319.21 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3,4,5,5,5-nonafluoro-2,4-dimethyl-N-propylpentan-1-amine is sourced from PubChem (CID 19761954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).