11-(4-fluoroanilino)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one

C17H16FNO — CID 15489269

IUPAC11-(4-fluoroanilino)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one
SMILESO=C1C2C3CC4C2C(Nc2ccc(F)cc2)C2C1C3C42
InChIInChI=1S/C17H16FNO/c18-6-1-3-7(4-2-6)19-16-12-8-5-9-11-10(8)14(16)15(11)17(20)13(9)12/h1-4,8-16,19H,5H2
InChIKeyGCKUDCCHCNIRPG-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.56
Rot. Bonds2

About 11-(4-fluoroanilino)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one

11-(4-fluoroanilino)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one (PubChem CID 15489269) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is 11-(4-fluoroanilino)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one.

Molecular Properties

Compound Name11-(4-fluoroanilino)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one
PubChem CID15489269
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name11-(4-fluoroanilino)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one
SMILESO=C1C2C3CC4C2C(Nc2ccc(F)cc2)C2C1C3C42
InChIInChI=1S/C17H16FNO/c18-6-1-3-7(4-2-6)19-16-12-8-5-9-11-10(8)14(16)15(11)17(20)13(9)12/h1-4,8-16,19H,5H2
InChIKeyGCKUDCCHCNIRPG-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-(4-fluoroanilino)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one?
The IUPAC name of 11-(4-fluoroanilino)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one (CID 15489269) is 11-(4-fluoroanilino)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one.
What is the SMILES notation for 11-(4-fluoroanilino)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one?
The canonical SMILES for 11-(4-fluoroanilino)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one is O=C1C2C3CC4C2C(Nc2ccc(F)cc2)C2C1C3C42.
What is the InChIKey of 11-(4-fluoroanilino)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one?
The InChIKey is GCKUDCCHCNIRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c18-6-1-3-7(4-2-6)19-16-12-8-5-9-11-10(8)14(16)15(11)17(20)13(9)12/h1-4,8-16,19H,5H2.
What are the key properties of 11-(4-fluoroanilino)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one?
11-(4-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-(4-fluoroanilino)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one is sourced from PubChem (CID 15489269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).