1,1,1,2,2,3,3,4,4,12,12,13,13,14,14,15,15,15-octadecafluoropentadecan-8-amine

C15H15F18N — CID 18792139

IUPAC1,1,1,2,2,3,3,4,4,12,12,13,13,14,14,15,15,15-octadecafluoropentadecan-8-amine
SMILESNC(CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H15F18N/c16-8(17,10(20,21)12(24,25)14(28,29)30)5-1-3-7(34)4-2-6-9(18,19)11(22,23)13(26,27)15(31,32)33/h7H,1-6,34H2
InChIKeyJZORQSQUPPAOGL-UHFFFAOYSA-N
MW551.26 g/mol
LogP7.59
Rot. Bonds12

About 1,1,1,2,2,3,3,4,4,12,12,13,13,14,14,15,15,15-octadecafluoropentadecan-8-amine

1,1,1,2,2,3,3,4,4,12,12,13,13,14,14,15,15,15-octadecafluoropentadecan-8-amine (PubChem CID 18792139) has the molecular formula C15H15F18N and a molecular weight of 551.26 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,12,12,13,13,14,14,15,15,15-octadecafluoropentadecan-8-amine.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,12,12,13,13,14,14,15,15,15-octadecafluoropentadecan-8-amine
PubChem CID18792139
Molecular FormulaC15H15F18N
Molecular Weight551.26 g/mol
Exact Mass551.09
IUPAC Name1,1,1,2,2,3,3,4,4,12,12,13,13,14,14,15,15,15-octadecafluoropentadecan-8-amine
SMILESNC(CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H15F18N/c16-8(17,10(20,21)12(24,25)14(28,29)30)5-1-3-7(34)4-2-6-9(18,19)11(22,23)13(26,27)15(31,32)33/h7H,1-6,34H2
InChIKeyJZORQSQUPPAOGL-UHFFFAOYSA-N
XLogP7.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.26
LogP ≤ 57.59
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 1,1,1,2,2,3,3,4,4,12,12,13,13,14,14,15,15,15-octadecafluoropentadecan-8-amine?
The IUPAC name of 1,1,1,2,2,3,3,4,4,12,12,13,13,14,14,15,15,15-octadecafluoropentadecan-8-amine (CID 18792139) is 1,1,1,2,2,3,3,4,4,12,12,13,13,14,14,15,15,15-octadecafluoropentadecan-8-amine.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,12,12,13,13,14,14,15,15,15-octadecafluoropentadecan-8-amine?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,12,12,13,13,14,14,15,15,15-octadecafluoropentadecan-8-amine is NC(CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,4,12,12,13,13,14,14,15,15,15-octadecafluoropentadecan-8-amine?
The InChIKey is JZORQSQUPPAOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F18N/c16-8(17,10(20,21)12(24,25)14(28,29)30)5-1-3-7(34)4-2-6-9(18,19)11(22,23)13(26,27)15(31,32)33/h7H,1-6,34H2.
What are the key properties of 1,1,1,2,2,3,3,4,4,12,12,13,13,14,14,15,15,15-octadecafluoropentadecan-8-amine?
1,1,1,2,2,3,3,4,4,12,12,13,13,14,14,15,15,15-octadecafluoropentadecan-8-amine has a molecular weight of 551.26 g/mol, XLogP of 7.59, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4,12,12,13,13,14,14,15,15,15-octadecafluoropentadecan-8-amine is sourced from PubChem (CID 18792139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).