13-(4-fluorophenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane

C16H24FNO4 — CID 102356016

IUPAC13-(4-fluorophenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
SMILESFc1ccc(N2CCOCCOCCOCCOCC2)cc1
InChIInChI=1S/C16H24FNO4/c17-15-1-3-16(4-2-15)18-5-7-19-9-11-21-13-14-22-12-10-20-8-6-18/h1-4H,5-14H2
InChIKeyGHFYXQLEUABMAY-UHFFFAOYSA-N
MW313.37 g/mol
LogP1.71
Rot. Bonds1

About 13-(4-fluorophenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane

13-(4-fluorophenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane (PubChem CID 102356016) has the molecular formula C16H24FNO4 and a molecular weight of 313.37 g/mol. Its IUPAC name is 13-(4-fluorophenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane.

Molecular Properties

Compound Name13-(4-fluorophenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
PubChem CID102356016
Molecular FormulaC16H24FNO4
Molecular Weight313.37 g/mol
Exact Mass313.17
IUPAC Name13-(4-fluorophenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
SMILESFc1ccc(N2CCOCCOCCOCCOCC2)cc1
InChIInChI=1S/C16H24FNO4/c17-15-1-3-16(4-2-15)18-5-7-19-9-11-21-13-14-22-12-10-20-8-6-18/h1-4H,5-14H2
InChIKeyGHFYXQLEUABMAY-UHFFFAOYSA-N
XLogP1.71
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(4-fluorophenyl)piperazin-1-yl]-4-morpholin-4-ylcyclobut-3-ene-1,2-dione
CID 53368386
13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102533214
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
16-(4-methylphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71419396
4-[4-[5-(4-fluorophenyl)pyrazol-1-yl]phenyl]morpholine
CID 70981081
(4-fluorophenyl)sulfonyl-(4-morpholin-4-ylphenyl)azanide
CID 4742987
N-fluoro-4-morpholin-4-ylaniline
CID 141098997
1-(4-fluorophenyl)-4-sulfanylpiperazine
CID 123797629
4-[4-[2-(4-morpholin-4-ylphenyl)ethenyl]phenyl]morpholine
CID 141350180
4-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)benzonitrile
CID 11068507
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 110688043
4-morpholin-4-ylbenzenecarbothioamide
CID 2795360

Frequently Asked Questions

What is the IUPAC name of 13-(4-fluorophenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane?
The IUPAC name of 13-(4-fluorophenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane (CID 102356016) is 13-(4-fluorophenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane.
What is the SMILES notation for 13-(4-fluorophenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane?
The canonical SMILES for 13-(4-fluorophenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane is Fc1ccc(N2CCOCCOCCOCCOCC2)cc1.
What is the InChIKey of 13-(4-fluorophenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane?
The InChIKey is GHFYXQLEUABMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO4/c17-15-1-3-16(4-2-15)18-5-7-19-9-11-21-13-14-22-12-10-20-8-6-18/h1-4H,5-14H2.
What are the key properties of 13-(4-fluorophenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane?
13-(4-fluorophenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane has a molecular weight of 313.37 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(4-fluorophenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane is sourced from PubChem (CID 102356016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).