N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)octan-1-amine

C12H18F9N — CID 90695405

IUPACN-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)octan-1-amine
SMILESCCCCCCCCNC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H18F9N/c1-2-3-4-5-6-7-8-22-12(20,21)10(15,16)9(13,14)11(17,18)19/h22H,2-8H2,1H3
InChIKeyYOYSFBPHJZYWSA-UHFFFAOYSA-N
MW347.27 g/mol
LogP5.36
Rot. Bonds10

About N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)octan-1-amine

N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)octan-1-amine (PubChem CID 90695405) has the molecular formula C12H18F9N and a molecular weight of 347.27 g/mol. Its IUPAC name is N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)octan-1-amine.

Molecular Properties

Compound NameN-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)octan-1-amine
PubChem CID90695405
Molecular FormulaC12H18F9N
Molecular Weight347.27 g/mol
Exact Mass347.13
IUPAC NameN-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)octan-1-amine
SMILESCCCCCCCCNC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H18F9N/c1-2-3-4-5-6-7-8-22-12(20,21)10(15,16)9(13,14)11(17,18)19/h22H,2-8H2,1H3
InChIKeyYOYSFBPHJZYWSA-UHFFFAOYSA-N
XLogP5.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.27
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(1,1,2,2,2-pentafluoroethyl)dodecan-1-amine
CID 175131707
N-(trifluoromethyl)hexadecan-1-amine
CID 158402254
4-methyl-N-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)pentan-1-amine
CID 90911133
N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctan-1-amine
CID 87370892
(hexadecylamino)-(hexylamino)methanedithiol
CID 176812583
3-methyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)butan-1-amine
CID 91298724
N-tert-butylnonadecan-1-amine
CID 87846739
N-dodecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide
CID 4072472
1-N"-undecylpropane-1,1,1-triamine
CID 54090869
1-(dodecylamino)ethane-1,1-diol
CID 23198053
N-(2-methylbutan-2-yl)hexadecan-1-amine
CID 20511004
N-(tribromomethyl)hexadecan-1-amine
CID 175543553

Frequently Asked Questions

What is the IUPAC name of N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)octan-1-amine?
The IUPAC name of N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)octan-1-amine (CID 90695405) is N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)octan-1-amine.
What is the SMILES notation for N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)octan-1-amine?
The canonical SMILES for N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)octan-1-amine is CCCCCCCCNC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)octan-1-amine?
The InChIKey is YOYSFBPHJZYWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F9N/c1-2-3-4-5-6-7-8-22-12(20,21)10(15,16)9(13,14)11(17,18)19/h22H,2-8H2,1H3.
What are the key properties of N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)octan-1-amine?
N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)octan-1-amine has a molecular weight of 347.27 g/mol, XLogP of 5.36, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)octan-1-amine is sourced from PubChem (CID 90695405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).