1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-nonadecafluorodecan-1-amine

C10H4F19N — CID 54167082

IUPAC1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-nonadecafluorodecan-1-amine
SMILESNC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CF
InChIInChI=1S/C10H4F19N/c11-1-2(12,13)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)30/h1,30H2
InChIKeyOSKBYBSSXBVBGS-UHFFFAOYSA-N
MW499.11 g/mol
LogP5.59
Rot. Bonds9

About 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-nonadecafluorodecan-1-amine

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-nonadecafluorodecan-1-amine (PubChem CID 54167082) has the molecular formula C10H4F19N and a molecular weight of 499.11 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-nonadecafluorodecan-1-amine.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-nonadecafluorodecan-1-amine
PubChem CID54167082
Molecular FormulaC10H4F19N
Molecular Weight499.11 g/mol
Exact Mass499.00
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-nonadecafluorodecan-1-amine
SMILESNC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CF
InChIInChI=1S/C10H4F19N/c11-1-2(12,13)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)30/h1,30H2
InChIKeyOSKBYBSSXBVBGS-UHFFFAOYSA-N
XLogP5.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.11
LogP ≤ 55.59
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'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-nonadecafluorodecan-1-amine?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-nonadecafluorodecan-1-amine (CID 54167082) is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-nonadecafluorodecan-1-amine.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-nonadecafluorodecan-1-amine?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-nonadecafluorodecan-1-amine is NC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CF.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-nonadecafluorodecan-1-amine?
The InChIKey is OSKBYBSSXBVBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F19N/c11-1-2(12,13)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)30/h1,30H2.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-nonadecafluorodecan-1-amine?
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-nonadecafluorodecan-1-amine has a molecular weight of 499.11 g/mol, XLogP of 5.59, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-nonadecafluorodecan-1-amine is sourced from PubChem (CID 54167082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).