11-(2-fluoroanilino)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one

C17H16FNO — CID 15489267

IUPAC11-(2-fluoroanilino)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one
SMILESO=C1C2C3CC4C2C(Nc2ccccc2F)C2C1C3C42
InChIInChI=1S/C17H16FNO/c18-8-3-1-2-4-9(8)19-16-12-6-5-7-11-10(6)14(16)15(11)17(20)13(7)12/h1-4,6-7,10-16,19H,5H2
InChIKeyQPDBEPFCNMEHQO-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.56
Rot. Bonds2

About 11-(2-fluoroanilino)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one

11-(2-fluoroanilino)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one (PubChem CID 15489267) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is 11-(2-fluoroanilino)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one.

Molecular Properties

Compound Name11-(2-fluoroanilino)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one
PubChem CID15489267
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name11-(2-fluoroanilino)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one
SMILESO=C1C2C3CC4C2C(Nc2ccccc2F)C2C1C3C42
InChIInChI=1S/C17H16FNO/c18-8-3-1-2-4-9(8)19-16-12-6-5-7-11-10(6)14(16)15(11)17(20)13(7)12/h1-4,6-7,10-16,19H,5H2
InChIKeyQPDBEPFCNMEHQO-UHFFFAOYSA-N
XLogP2.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11-(2-fluoroanilino)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one?
The IUPAC name of 11-(2-fluoroanilino)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one (CID 15489267) is 11-(2-fluoroanilino)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one.
What is the SMILES notation for 11-(2-fluoroanilino)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one?
The canonical SMILES for 11-(2-fluoroanilino)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one is O=C1C2C3CC4C2C(Nc2ccccc2F)C2C1C3C42.
What is the InChIKey of 11-(2-fluoroanilino)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one?
The InChIKey is QPDBEPFCNMEHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c18-8-3-1-2-4-9(8)19-16-12-6-5-7-11-10(6)14(16)15(11)17(20)13(7)12/h1-4,6-7,10-16,19H,5H2.
What are the key properties of 11-(2-fluoroanilino)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one?
11-(2-fluoroanilino)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one has a molecular weight of 269.32 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2-fluoroanilino)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one is sourced from PubChem (CID 15489267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).