1,6-bis(4-fluorophenyl)-2,5-bis(morpholin-4-ylmethyl)hexane-1,6-dione

C28H34F2N2O4 — CID 56694067

IUPAC1,6-bis(4-fluorophenyl)-2,5-bis(morpholin-4-ylmethyl)hexane-1,6-dione
SMILESO=C(c1ccc(F)cc1)C(CCC(CN1CCOCC1)C(=O)c1ccc(F)cc1)CN1CCOCC1
InChIInChI=1S/C28H34F2N2O4/c29-25-7-3-21(4-8-25)27(33)23(19-31-11-15-35-16-12-31)1-2-24(20-32-13-17-36-18-14-32)28(34)22-5-9-26(30)10-6-22/h3-10,23-24H,1-2,11-20H2
InChIKeyVCYZJDKOQWALDU-UHFFFAOYSA-N
MW500.59 g/mol
LogP3.71
Rot. Bonds11

About 1,6-bis(4-fluorophenyl)-2,5-bis(morpholin-4-ylmethyl)hexane-1,6-dione

1,6-bis(4-fluorophenyl)-2,5-bis(morpholin-4-ylmethyl)hexane-1,6-dione (PubChem CID 56694067) has the molecular formula C28H34F2N2O4 and a molecular weight of 500.59 g/mol. Its IUPAC name is 1,6-bis(4-fluorophenyl)-2,5-bis(morpholin-4-ylmethyl)hexane-1,6-dione.

Molecular Properties

Compound Name1,6-bis(4-fluorophenyl)-2,5-bis(morpholin-4-ylmethyl)hexane-1,6-dione
PubChem CID56694067
Molecular FormulaC28H34F2N2O4
Molecular Weight500.59 g/mol
Exact Mass500.25
IUPAC Name1,6-bis(4-fluorophenyl)-2,5-bis(morpholin-4-ylmethyl)hexane-1,6-dione
SMILESO=C(c1ccc(F)cc1)C(CCC(CN1CCOCC1)C(=O)c1ccc(F)cc1)CN1CCOCC1
InChIInChI=1S/C28H34F2N2O4/c29-25-7-3-21(4-8-25)27(33)23(19-31-11-15-35-16-12-31)1-2-24(20-32-13-17-36-18-14-32)28(34)22-5-9-26(30)10-6-22/h3-10,23-24H,1-2,11-20H2
InChIKeyVCYZJDKOQWALDU-UHFFFAOYSA-N
XLogP3.71
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.59
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-dione;hydrochloride
CID 6603036
1-(4-fluorophenyl)-2-(piperidin-1-ylmethyl)pentan-1-one
CID 58514207
[(2R)-1-morpholin-4-ylpropan-2-yl] 4-fluorobenzoate
CID 844363
1-(4-fluorophenyl)-2-morpholin-4-ylethanol
CID 3678809
1-(4-fluoroanilino)-3-morpholin-4-ylpropan-2-ol
CID 60896474
2-amino-1-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-one
CID 67792210
4-[(1R)-1-(4-fluorophenyl)-2-morpholin-4-ylethyl]morpholine
CID 95988041
(2S)-3-[4-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperazin-1-yl]-1-(4-hydroxyphenyl)-2-methylpropan-1-one
CID 97301227
4-(4-fluorophenyl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-4-oxobutanamide
CID 9148546
1-(4-fluorophenyl)-2-morpholin-4-ylethane-1,2-dione
CID 82116829
1-morpholin-4-ylpropan-2-yl 2-(4-fluorophenoxy)acetate
CID 649208
1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111423789

Frequently Asked Questions

What is the IUPAC name of 1,6-bis(4-fluorophenyl)-2,5-bis(morpholin-4-ylmethyl)hexane-1,6-dione?
The IUPAC name of 1,6-bis(4-fluorophenyl)-2,5-bis(morpholin-4-ylmethyl)hexane-1,6-dione (CID 56694067) is 1,6-bis(4-fluorophenyl)-2,5-bis(morpholin-4-ylmethyl)hexane-1,6-dione.
What is the SMILES notation for 1,6-bis(4-fluorophenyl)-2,5-bis(morpholin-4-ylmethyl)hexane-1,6-dione?
The canonical SMILES for 1,6-bis(4-fluorophenyl)-2,5-bis(morpholin-4-ylmethyl)hexane-1,6-dione is O=C(c1ccc(F)cc1)C(CCC(CN1CCOCC1)C(=O)c1ccc(F)cc1)CN1CCOCC1.
What is the InChIKey of 1,6-bis(4-fluorophenyl)-2,5-bis(morpholin-4-ylmethyl)hexane-1,6-dione?
The InChIKey is VCYZJDKOQWALDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34F2N2O4/c29-25-7-3-21(4-8-25)27(33)23(19-31-11-15-35-16-12-31)1-2-24(20-32-13-17-36-18-14-32)28(34)22-5-9-26(30)10-6-22/h3-10,23-24H,1-2,11-20H2.
What are the key properties of 1,6-bis(4-fluorophenyl)-2,5-bis(morpholin-4-ylmethyl)hexane-1,6-dione?
1,6-bis(4-fluorophenyl)-2,5-bis(morpholin-4-ylmethyl)hexane-1,6-dione has a molecular weight of 500.59 g/mol, XLogP of 3.71, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis(4-fluorophenyl)-2,5-bis(morpholin-4-ylmethyl)hexane-1,6-dione is sourced from PubChem (CID 56694067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).