3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-methyloctan-1-amine

C9H8F13N — CID 10384934

IUPAC3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-methyloctan-1-amine
SMILESCNCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H8F13N/c1-23-3-2-4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h23H,2-3H2,1H3
InChIKeyZMQLNXVJRJJSBE-UHFFFAOYSA-N
MW377.14 g/mol
LogP4.33
Rot. Bonds7

About 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-methyloctan-1-amine

3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-methyloctan-1-amine (PubChem CID 10384934) has the molecular formula C9H8F13N and a molecular weight of 377.14 g/mol. Its IUPAC name is 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-methyloctan-1-amine.

Molecular Properties

Compound Name3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-methyloctan-1-amine
PubChem CID10384934
Molecular FormulaC9H8F13N
Molecular Weight377.14 g/mol
Exact Mass377.04
IUPAC Name3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-methyloctan-1-amine
SMILESCNCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H8F13N/c1-23-3-2-4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h23H,2-3H2,1H3
InChIKeyZMQLNXVJRJJSBE-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.14
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecan-1-amine
CID 10743224
N-(2,2,2-Trifluoroethyl)dodecan-1-amine
CID 20155646
Methyl-(7,7,8,8,9,9,10,10,10-nonafluorodecyl)amine
CID 12095891
Bis(1H,1H-perfluorooct-1-yl)amine
CID 18450406
N-trifluoroethyloctadecylamine
CID 13041690
1-Octanamine, N-(2,2,2-trifluoroethyl)-
CID 20155638
N-(2,2-Difluoroethyl)dodecan-1-amine
CID 20155641
N-(2,2,2-trifluoroethyl)hexadecan-1-amine
CID 20155645
1-Decanamine, N-(2,2,2-trifluoroethyl)-
CID 20155650
N-(2,2,2-trifluoroethyl)tetradecan-1-amine
CID 90672457
3-Hexafluoropropyldiethylamine
CID 129730038
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)octan-1-amine
CID 172565254

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-methyloctan-1-amine?
The IUPAC name of 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-methyloctan-1-amine (CID 10384934) is 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-methyloctan-1-amine.
What is the SMILES notation for 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-methyloctan-1-amine?
The canonical SMILES for 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-methyloctan-1-amine is CNCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-methyloctan-1-amine?
The InChIKey is ZMQLNXVJRJJSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F13N/c1-23-3-2-4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h23H,2-3H2,1H3.
What are the key properties of 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-methyloctan-1-amine?
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-methyloctan-1-amine has a molecular weight of 377.14 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-methyloctan-1-amine is sourced from PubChem (CID 10384934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).