4-[(Z)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-phenyloct-1-en-2-yl]morpholine

C18H14F13NO — CID 101349979

IUPAC4-[(Z)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-phenyloct-1-en-2-yl]morpholine
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)/C(=C/c1ccccc1)N1CCOCC1
InChIInChI=1S/C18H14F13NO/c19-13(20,12(32-6-8-33-9-7-32)10-11-4-2-1-3-5-11)14(21,22)15(23,24)16(25,26)17(27,28)18(29,30)31/h1-5,10H,6-9H2/b12-10-
InChIKeyBSTVZHJVTVGGQG-BENRWUELSA-N
MW507.29 g/mol
LogP6.10
Rot. Bonds7

About 4-[(Z)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-phenyloct-1-en-2-yl]morpholine

4-[(Z)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-phenyloct-1-en-2-yl]morpholine (PubChem CID 101349979) has the molecular formula C18H14F13NO and a molecular weight of 507.29 g/mol. Its IUPAC name is 4-[(Z)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-phenyloct-1-en-2-yl]morpholine.

Molecular Properties

Compound Name4-[(Z)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-phenyloct-1-en-2-yl]morpholine
PubChem CID101349979
Molecular FormulaC18H14F13NO
Molecular Weight507.29 g/mol
Exact Mass507.09
IUPAC Name4-[(Z)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-phenyloct-1-en-2-yl]morpholine
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)/C(=C/c1ccccc1)N1CCOCC1
InChIInChI=1S/C18H14F13NO/c19-13(20,12(32-6-8-33-9-7-32)10-11-4-2-1-3-5-11)14(21,22)15(23,24)16(25,26)17(27,28)18(29,30)31/h1-5,10H,6-9H2/b12-10-
InChIKeyBSTVZHJVTVGGQG-BENRWUELSA-N
XLogP6.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.29
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 782728
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(Z)-3-(4-fluorophenyl)-3-morpholin-4-ylprop-2-enenitrile
CID 2410071
Morpholine, 4-(1-methyl-3-phenylpropyl)-
CID 200844
4-(1-Phenylvinyl)morpholine
CID 11074188
4-(2,5-Difluorobenzyl)morpholine
CID 743078
4-(3,4-Difluorobenzyl)morpholine
CID 783106
4-(2,6-Difluorobenzyl)morpholine
CID 2845287
2-Morpholinylindene
CID 2817252
4-[(1E)-1-phenylprop-1-en-1-yl]morpholine
CID 6370493
4-[(E)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]morpholine
CID 14296892
4-[Difluoro(phenyl)methyl]morpholine
CID 57486611

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-phenyloct-1-en-2-yl]morpholine?
The IUPAC name of 4-[(Z)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-phenyloct-1-en-2-yl]morpholine (CID 101349979) is 4-[(Z)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-phenyloct-1-en-2-yl]morpholine.
What is the SMILES notation for 4-[(Z)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-phenyloct-1-en-2-yl]morpholine?
The canonical SMILES for 4-[(Z)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-phenyloct-1-en-2-yl]morpholine is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)/C(=C/c1ccccc1)N1CCOCC1.
What is the InChIKey of 4-[(Z)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-phenyloct-1-en-2-yl]morpholine?
The InChIKey is BSTVZHJVTVGGQG-BENRWUELSA-N. The full InChI is InChI=1S/C18H14F13NO/c19-13(20,12(32-6-8-33-9-7-32)10-11-4-2-1-3-5-11)14(21,22)15(23,24)16(25,26)17(27,28)18(29,30)31/h1-5,10H,6-9H2/b12-10-.
What are the key properties of 4-[(Z)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-phenyloct-1-en-2-yl]morpholine?
4-[(Z)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-phenyloct-1-en-2-yl]morpholine has a molecular weight of 507.29 g/mol, XLogP of 6.10, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-phenyloct-1-en-2-yl]morpholine is sourced from PubChem (CID 101349979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).