3-[(4-fluorophenyl)methyl]-3-azatetracyclo[4.3.1.02,5.07,9]decan-4-one

C16H16FNO — CID 58000251

IUPAC3-[(4-fluorophenyl)methyl]-3-azatetracyclo[4.3.1.02,5.07,9]decan-4-one
SMILESO=C1C2C3CC(C4CC43)C2N1Cc1ccc(F)cc1
InChIInChI=1S/C16H16FNO/c17-9-3-1-8(2-4-9)7-18-15-13-6-12(10-5-11(10)13)14(15)16(18)19/h1-4,10-15H,5-7H2
InChIKeyYCPCEBMUYSZZOB-UHFFFAOYSA-N
MW257.31 g/mol
LogP2.44
Rot. Bonds2

About 3-[(4-fluorophenyl)methyl]-3-azatetracyclo[4.3.1.02,5.07,9]decan-4-one

3-[(4-fluorophenyl)methyl]-3-azatetracyclo[4.3.1.02,5.07,9]decan-4-one (PubChem CID 58000251) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-3-azatetracyclo[4.3.1.02,5.07,9]decan-4-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-3-azatetracyclo[4.3.1.02,5.07,9]decan-4-one
PubChem CID58000251
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name3-[(4-fluorophenyl)methyl]-3-azatetracyclo[4.3.1.02,5.07,9]decan-4-one
SMILESO=C1C2C3CC(C4CC43)C2N1Cc1ccc(F)cc1
InChIInChI=1S/C16H16FNO/c17-9-3-1-8(2-4-9)7-18-15-13-6-12(10-5-11(10)13)14(15)16(18)19/h1-4,10-15H,5-7H2
InChIKeyYCPCEBMUYSZZOB-UHFFFAOYSA-N
XLogP2.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-3-azatetracyclo[4.3.1.02,5.07,9]decan-4-one?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-3-azatetracyclo[4.3.1.02,5.07,9]decan-4-one (CID 58000251) is 3-[(4-fluorophenyl)methyl]-3-azatetracyclo[4.3.1.02,5.07,9]decan-4-one.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-3-azatetracyclo[4.3.1.02,5.07,9]decan-4-one?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-3-azatetracyclo[4.3.1.02,5.07,9]decan-4-one is O=C1C2C3CC(C4CC43)C2N1Cc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-3-azatetracyclo[4.3.1.02,5.07,9]decan-4-one?
The InChIKey is YCPCEBMUYSZZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c17-9-3-1-8(2-4-9)7-18-15-13-6-12(10-5-11(10)13)14(15)16(18)19/h1-4,10-15H,5-7H2.
What are the key properties of 3-[(4-fluorophenyl)methyl]-3-azatetracyclo[4.3.1.02,5.07,9]decan-4-one?
3-[(4-fluorophenyl)methyl]-3-azatetracyclo[4.3.1.02,5.07,9]decan-4-one has a molecular weight of 257.31 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-3-azatetracyclo[4.3.1.02,5.07,9]decan-4-one is sourced from PubChem (CID 58000251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).