1,1,1,2,2,3,3,5,6,9,10-undecafluoroundecan-4-amine

C11H14F11N — CID 87970777

IUPAC1,1,1,2,2,3,3,5,6,9,10-undecafluoroundecan-4-amine
SMILESCC(F)C(F)CCC(F)C(F)C(N)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H14F11N/c1-4(12)5(13)2-3-6(14)7(15)8(23)9(16,17)10(18,19)11(20,21)22/h4-8H,2-3,23H2,1H3
InChIKeyHITSUKBBFCFRTR-UHFFFAOYSA-N
MW369.22 g/mol
LogP4.30
Rot. Bonds8

About 1,1,1,2,2,3,3,5,6,9,10-undecafluoroundecan-4-amine

1,1,1,2,2,3,3,5,6,9,10-undecafluoroundecan-4-amine (PubChem CID 87970777) has the molecular formula C11H14F11N and a molecular weight of 369.22 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,5,6,9,10-undecafluoroundecan-4-amine.

Molecular Properties

Compound Name1,1,1,2,2,3,3,5,6,9,10-undecafluoroundecan-4-amine
PubChem CID87970777
Molecular FormulaC11H14F11N
Molecular Weight369.22 g/mol
Exact Mass369.10
IUPAC Name1,1,1,2,2,3,3,5,6,9,10-undecafluoroundecan-4-amine
SMILESCC(F)C(F)CCC(F)C(F)C(N)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H14F11N/c1-4(12)5(13)2-3-6(14)7(15)8(23)9(16,17)10(18,19)11(20,21)22/h4-8H,2-3,23H2,1H3
InChIKeyHITSUKBBFCFRTR-UHFFFAOYSA-N
XLogP4.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,5,6,9,10-undecafluoroundecan-4-amine?
The IUPAC name of 1,1,1,2,2,3,3,5,6,9,10-undecafluoroundecan-4-amine (CID 87970777) is 1,1,1,2,2,3,3,5,6,9,10-undecafluoroundecan-4-amine.
What is the SMILES notation for 1,1,1,2,2,3,3,5,6,9,10-undecafluoroundecan-4-amine?
The canonical SMILES for 1,1,1,2,2,3,3,5,6,9,10-undecafluoroundecan-4-amine is CC(F)C(F)CCC(F)C(F)C(N)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,5,6,9,10-undecafluoroundecan-4-amine?
The InChIKey is HITSUKBBFCFRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F11N/c1-4(12)5(13)2-3-6(14)7(15)8(23)9(16,17)10(18,19)11(20,21)22/h4-8H,2-3,23H2,1H3.
What are the key properties of 1,1,1,2,2,3,3,5,6,9,10-undecafluoroundecan-4-amine?
1,1,1,2,2,3,3,5,6,9,10-undecafluoroundecan-4-amine has a molecular weight of 369.22 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,5,6,9,10-undecafluoroundecan-4-amine is sourced from PubChem (CID 87970777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).