16-fluoro-5,7-dioxa-11-thia-14-azapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(20),2,4(8),9,12,14,16,18-octaene

C16H8FNO2S — CID 15737175

IUPAC16-fluoro-5,7-dioxa-11-thia-14-azapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(20),2,4(8),9,12,14,16,18-octaene
SMILESFc1cccc2c1ncc1sc3cc4c(cc3c12)OCO4
InChIInChI=1S/C16H8FNO2S/c17-10-3-1-2-8-15-9-4-11-12(20-7-19-11)5-13(9)21-14(15)6-18-16(8)10/h1-6H,7H2
InChIKeyNTSUZLSRGZNNSY-UHFFFAOYSA-N
MW297.31 g/mol
LogP4.47
Rot. Bonds

About 16-fluoro-5,7-dioxa-11-thia-14-azapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(20),2,4(8),9,12,14,16,18-octaene

16-fluoro-5,7-dioxa-11-thia-14-azapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(20),2,4(8),9,12,14,16,18-octaene (PubChem CID 15737175) has the molecular formula C16H8FNO2S and a molecular weight of 297.31 g/mol. Its IUPAC name is 16-fluoro-5,7-dioxa-11-thia-14-azapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(20),2,4(8),9,12,14,16,18-octaene.

Molecular Properties

Compound Name16-fluoro-5,7-dioxa-11-thia-14-azapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(20),2,4(8),9,12,14,16,18-octaene
PubChem CID15737175
Molecular FormulaC16H8FNO2S
Molecular Weight297.31 g/mol
Exact Mass297.03
IUPAC Name16-fluoro-5,7-dioxa-11-thia-14-azapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(20),2,4(8),9,12,14,16,18-octaene
SMILESFc1cccc2c1ncc1sc3cc4c(cc3c12)OCO4
InChIInChI=1S/C16H8FNO2S/c17-10-3-1-2-8-15-9-4-11-12(20-7-19-11)5-13(9)21-14(15)6-18-16(8)10/h1-6H,7H2
InChIKeyNTSUZLSRGZNNSY-UHFFFAOYSA-N
XLogP4.47
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 16-fluoro-5,7-dioxa-11-thia-14-azapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(20),2,4(8),9,12,14,16,18-octaene with MolForge

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Related Compounds

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CID 10083695
7-(3-Thiophenyl)-[1,3]dioxolo[4,5-g]isoquinoline
CID 25058391
2-[2-[6-(2-Methoxyphenyl)thieno[2,3-f][1,3]benzodioxol-7-yl]ethynyl]pyridine
CID 44142482
10-Fluoro-4-methoxy-5-methyl[1]benzothieno[2,3-c]quinolin-5-ium
CID 1779948
11-Fluoro-4-methoxy-5-methyl[1]benzothieno[2,3-c]quinolin-5-ium
CID 3318667
9-Fluoro-4-methoxy-5-methyl[1]benzothieno[2,3-c]quinolin-5-ium
CID 4097776
10-Fluoro-3-methoxy-5-methyl[1]benzothieno[2,3-c]quinolin-5-ium
CID 5143943
2-(1,3-Benzodioxol-5-yl)-5-quinolin-4-yl-1,3,4-thiadiazole
CID 13171496
3,4-Dimethoxy-[1]benzothiolo[3,2-c]isoquinoline
CID 176435881
6-Chloro-4-fluoro-9,10-dimethoxy[1]benzothieno[2,3-c]quinoline
CID 15737169
13-Chloro-16-fluoro-5,7-dioxa-11-thia-14-azapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(20),2,4(8),9,12,14,16,18-octaene
CID 15737171
4-Fluoro-9,10-dimethoxy[1]benzothieno[2,3-c]quinoline
CID 15737173

Frequently Asked Questions

What is the IUPAC name of 16-fluoro-5,7-dioxa-11-thia-14-azapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(20),2,4(8),9,12,14,16,18-octaene?
The IUPAC name of 16-fluoro-5,7-dioxa-11-thia-14-azapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(20),2,4(8),9,12,14,16,18-octaene (CID 15737175) is 16-fluoro-5,7-dioxa-11-thia-14-azapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(20),2,4(8),9,12,14,16,18-octaene.
What is the SMILES notation for 16-fluoro-5,7-dioxa-11-thia-14-azapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(20),2,4(8),9,12,14,16,18-octaene?
The canonical SMILES for 16-fluoro-5,7-dioxa-11-thia-14-azapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(20),2,4(8),9,12,14,16,18-octaene is Fc1cccc2c1ncc1sc3cc4c(cc3c12)OCO4.
What is the InChIKey of 16-fluoro-5,7-dioxa-11-thia-14-azapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(20),2,4(8),9,12,14,16,18-octaene?
The InChIKey is NTSUZLSRGZNNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8FNO2S/c17-10-3-1-2-8-15-9-4-11-12(20-7-19-11)5-13(9)21-14(15)6-18-16(8)10/h1-6H,7H2.
What are the key properties of 16-fluoro-5,7-dioxa-11-thia-14-azapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(20),2,4(8),9,12,14,16,18-octaene?
16-fluoro-5,7-dioxa-11-thia-14-azapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(20),2,4(8),9,12,14,16,18-octaene has a molecular weight of 297.31 g/mol, XLogP of 4.47, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 16-fluoro-5,7-dioxa-11-thia-14-azapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(20),2,4(8),9,12,14,16,18-octaene is sourced from PubChem (CID 15737175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).