13-fluoro-8-oxa-11-thia-3-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaene

C14H8FNOS — CID 141399174

IUPAC13-fluoro-8-oxa-11-thia-3-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaene
SMILESFc1cccc2c3c(sc12)COc1cccnc1-3
InChIInChI=1S/C14H8FNOS/c15-9-4-1-3-8-12-11(18-14(8)9)7-17-10-5-2-6-16-13(10)12/h1-6H,7H2
InChIKeyBISCZRLXVASYHL-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.99
Rot. Bonds

About 13-fluoro-8-oxa-11-thia-3-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaene

13-fluoro-8-oxa-11-thia-3-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaene (PubChem CID 141399174) has the molecular formula C14H8FNOS and a molecular weight of 257.29 g/mol. Its IUPAC name is 13-fluoro-8-oxa-11-thia-3-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaene.

Molecular Properties

Compound Name13-fluoro-8-oxa-11-thia-3-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaene
PubChem CID141399174
Molecular FormulaC14H8FNOS
Molecular Weight257.29 g/mol
Exact Mass257.03
IUPAC Name13-fluoro-8-oxa-11-thia-3-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaene
SMILESFc1cccc2c3c(sc12)COc1cccnc1-3
InChIInChI=1S/C14H8FNOS/c15-9-4-1-3-8-12-11(18-14(8)9)7-17-10-5-2-6-16-13(10)12/h1-6H,7H2
InChIKeyBISCZRLXVASYHL-UHFFFAOYSA-N
XLogP3.99
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 13-fluoro-8-oxa-11-thia-3-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaene with MolForge

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Related Compounds

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(NE)-N-(2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene)hydroxylamine
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(NE)-N-(2-thieno[2,3-c]pyridin-5-ylchromen-4-ylidene)hydroxylamine
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6-fluoro-2-[(5-methoxy-3-pyridinyl)methyl]-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine
CID 137636260
(+)-(R)-2-(3-(1-(3-methoxypyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)-N,N-dimethylethanamine
CID 46884120
4-pyridin-2-yl-2-thiophen-3-yl-5H-chromeno[4,3-b]pyridine
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US10941138, Example 94
CID 135178796
3-(3-Methoxy-1-benzothiophen-2-yl)quinoline
CID 11312364
3-(3-Methoxy-1-benzothiophen-2-yl)pyridine
CID 11322436
2-(3-Methoxy-1-benzothiophen-2-yl)pyridine
CID 44429807
3-[3-(2,2,2-Trifluoroethoxy)-1-benzothiophen-2-yl]pyridine
CID 44429808

Frequently Asked Questions

What is the IUPAC name of 13-fluoro-8-oxa-11-thia-3-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaene?
The IUPAC name of 13-fluoro-8-oxa-11-thia-3-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaene (CID 141399174) is 13-fluoro-8-oxa-11-thia-3-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaene.
What is the SMILES notation for 13-fluoro-8-oxa-11-thia-3-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaene?
The canonical SMILES for 13-fluoro-8-oxa-11-thia-3-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaene is Fc1cccc2c3c(sc12)COc1cccnc1-3.
What is the InChIKey of 13-fluoro-8-oxa-11-thia-3-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaene?
The InChIKey is BISCZRLXVASYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FNOS/c15-9-4-1-3-8-12-11(18-14(8)9)7-17-10-5-2-6-16-13(10)12/h1-6H,7H2.
What are the key properties of 13-fluoro-8-oxa-11-thia-3-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaene?
13-fluoro-8-oxa-11-thia-3-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaene has a molecular weight of 257.29 g/mol, XLogP of 3.99, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-fluoro-8-oxa-11-thia-3-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaene is sourced from PubChem (CID 141399174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).