2-(1,1,2,2,3,3,4,4,5,5,6,6,7,8,9,10,10-heptadecafluorodecoxy)ethanamine

C12H10F17NO — CID 87948492

IUPAC2-(1,1,2,2,3,3,4,4,5,5,6,6,7,8,9,10,10-heptadecafluorodecoxy)ethanamine
SMILESNCCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)C(F)C(F)F
InChIInChI=1S/C12H10F17NO/c13-3(4(14)6(16)17)5(15)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)12(28,29)31-2-1-30/h3-6H,1-2,30H2
InChIKeyFUOKOHOSEKVWPN-UHFFFAOYSA-N
MW507.18 g/mol
LogP5.01
Rot. Bonds12

About 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,8,9,10,10-heptadecafluorodecoxy)ethanamine

2-(1,1,2,2,3,3,4,4,5,5,6,6,7,8,9,10,10-heptadecafluorodecoxy)ethanamine (PubChem CID 87948492) has the molecular formula C12H10F17NO and a molecular weight of 507.18 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,8,9,10,10-heptadecafluorodecoxy)ethanamine.

Molecular Properties

Compound Name2-(1,1,2,2,3,3,4,4,5,5,6,6,7,8,9,10,10-heptadecafluorodecoxy)ethanamine
PubChem CID87948492
Molecular FormulaC12H10F17NO
Molecular Weight507.18 g/mol
Exact Mass507.05
IUPAC Name2-(1,1,2,2,3,3,4,4,5,5,6,6,7,8,9,10,10-heptadecafluorodecoxy)ethanamine
SMILESNCCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)C(F)C(F)F
InChIInChI=1S/C12H10F17NO/c13-3(4(14)6(16)17)5(15)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)12(28,29)31-2-1-30/h3-6H,1-2,30H2
InChIKeyFUOKOHOSEKVWPN-UHFFFAOYSA-N
XLogP5.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.18
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,8,9,10,10-heptadecafluorodecoxy)ethanamine?
The IUPAC name of 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,8,9,10,10-heptadecafluorodecoxy)ethanamine (CID 87948492) is 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,8,9,10,10-heptadecafluorodecoxy)ethanamine.
What is the SMILES notation for 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,8,9,10,10-heptadecafluorodecoxy)ethanamine?
The canonical SMILES for 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,8,9,10,10-heptadecafluorodecoxy)ethanamine is NCCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)C(F)C(F)F.
What is the InChIKey of 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,8,9,10,10-heptadecafluorodecoxy)ethanamine?
The InChIKey is FUOKOHOSEKVWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F17NO/c13-3(4(14)6(16)17)5(15)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)12(28,29)31-2-1-30/h3-6H,1-2,30H2.
What are the key properties of 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,8,9,10,10-heptadecafluorodecoxy)ethanamine?
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,8,9,10,10-heptadecafluorodecoxy)ethanamine has a molecular weight of 507.18 g/mol, XLogP of 5.01, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,8,9,10,10-heptadecafluorodecoxy)ethanamine is sourced from PubChem (CID 87948492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).