3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononan-1-amine

C9H6F15N — CID 154642605

IUPAC3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononan-1-amine
SMILESNCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H6F15N/c10-3(11,1-2-25)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)24/h1-2,25H2
InChIKeyYURFMHYJPFWKNL-UHFFFAOYSA-N
MW413.12 g/mol
LogP4.71
Rot. Bonds7

About 3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononan-1-amine

3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononan-1-amine (PubChem CID 154642605) has the molecular formula C9H6F15N and a molecular weight of 413.12 g/mol. Its IUPAC name is 3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononan-1-amine.

Molecular Properties

Compound Name3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononan-1-amine
PubChem CID154642605
Molecular FormulaC9H6F15N
Molecular Weight413.12 g/mol
Exact Mass413.03
IUPAC Name3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononan-1-amine
SMILESNCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H6F15N/c10-3(11,1-2-25)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)24/h1-2,25H2
InChIKeyYURFMHYJPFWKNL-UHFFFAOYSA-N
XLogP4.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.12
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononan-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

Related Compounds

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-1-amine
CID 2783341
3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodecane-1,10-diamine
CID 15061690
3,3,4,4,5,5-hexafluoroheptane-1,7-diamine
CID 170615056
1,1,1,2,2,3,3,4,4,5,5,6,6,11,11,12,12,13,13,14,14,15,15,16,16,16-hexacosafluorohexadecane
CID 12596031
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,22-tetratriacontafluorodocosane
CID 99769054
7-[diamino(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silyl]-1,1,1,2,2,3,3,4,4,5,5-undecafluoroheptane
CID 172814135
sodium 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-thiolate
CID 101489240
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18-heptatriacontafluoro-20-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-heptatriacontafluoroicosylsulfanyl)icosane
CID 163324947
methyl 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluorotridecanoate
CID 46945110
10-[diamino(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecyl)silyl]-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorodecane
CID 172827881
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecane-1-sulfonamide
CID 163324201
6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluoro-N-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecyl)tridecan-1-amine
CID 10533986

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononan-1-amine?
The IUPAC name of 3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononan-1-amine (CID 154642605) is 3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononan-1-amine.
What is the SMILES notation for 3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononan-1-amine?
The canonical SMILES for 3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononan-1-amine is NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononan-1-amine?
The InChIKey is YURFMHYJPFWKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F15N/c10-3(11,1-2-25)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)24/h1-2,25H2.
What are the key properties of 3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononan-1-amine?
3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononan-1-amine has a molecular weight of 413.12 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononan-1-amine is sourced from PubChem (CID 154642605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).