4-azatricyclo[4.3.1.13,8]undecan-4-yl-[1-(2-fluorophenyl)cyclopropyl]methanone

C20H24FNO — CID 102557619

IUPAC4-azatricyclo[4.3.1.13,8]undecan-4-yl-[1-(2-fluorophenyl)cyclopropyl]methanone
SMILESO=C(N1CC2CC3CC(C2)CC1C3)C1(c2ccccc2F)CC1
InChIInChI=1S/C20H24FNO/c21-18-4-2-1-3-17(18)20(5-6-20)19(23)22-12-15-8-13-7-14(9-15)11-16(22)10-13/h1-4,13-16H,5-12H2
InChIKeyCZOXALPWHHXHOQ-UHFFFAOYSA-N
MW313.42 g/mol
LogP3.89
Rot. Bonds2

About 4-azatricyclo[4.3.1.13,8]undecan-4-yl-[1-(2-fluorophenyl)cyclopropyl]methanone

4-azatricyclo[4.3.1.13,8]undecan-4-yl-[1-(2-fluorophenyl)cyclopropyl]methanone (PubChem CID 102557619) has the molecular formula C20H24FNO and a molecular weight of 313.42 g/mol. Its IUPAC name is 4-azatricyclo[4.3.1.13,8]undecan-4-yl-[1-(2-fluorophenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name4-azatricyclo[4.3.1.13,8]undecan-4-yl-[1-(2-fluorophenyl)cyclopropyl]methanone
PubChem CID102557619
Molecular FormulaC20H24FNO
Molecular Weight313.42 g/mol
Exact Mass313.18
IUPAC Name4-azatricyclo[4.3.1.13,8]undecan-4-yl-[1-(2-fluorophenyl)cyclopropyl]methanone
SMILESO=C(N1CC2CC3CC(C2)CC1C3)C1(c2ccccc2F)CC1
InChIInChI=1S/C20H24FNO/c21-18-4-2-1-3-17(18)20(5-6-20)19(23)22-12-15-8-13-7-14(9-15)11-16(22)10-13/h1-4,13-16H,5-12H2
InChIKeyCZOXALPWHHXHOQ-UHFFFAOYSA-N
XLogP3.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-azatricyclo[4.3.1.13,8]undecan-4-yl-[1-(2-fluorophenyl)cyclopropyl]methanone?
The IUPAC name of 4-azatricyclo[4.3.1.13,8]undecan-4-yl-[1-(2-fluorophenyl)cyclopropyl]methanone (CID 102557619) is 4-azatricyclo[4.3.1.13,8]undecan-4-yl-[1-(2-fluorophenyl)cyclopropyl]methanone.
What is the SMILES notation for 4-azatricyclo[4.3.1.13,8]undecan-4-yl-[1-(2-fluorophenyl)cyclopropyl]methanone?
The canonical SMILES for 4-azatricyclo[4.3.1.13,8]undecan-4-yl-[1-(2-fluorophenyl)cyclopropyl]methanone is O=C(N1CC2CC3CC(C2)CC1C3)C1(c2ccccc2F)CC1.
What is the InChIKey of 4-azatricyclo[4.3.1.13,8]undecan-4-yl-[1-(2-fluorophenyl)cyclopropyl]methanone?
The InChIKey is CZOXALPWHHXHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO/c21-18-4-2-1-3-17(18)20(5-6-20)19(23)22-12-15-8-13-7-14(9-15)11-16(22)10-13/h1-4,13-16H,5-12H2.
What are the key properties of 4-azatricyclo[4.3.1.13,8]undecan-4-yl-[1-(2-fluorophenyl)cyclopropyl]methanone?
4-azatricyclo[4.3.1.13,8]undecan-4-yl-[1-(2-fluorophenyl)cyclopropyl]methanone has a molecular weight of 313.42 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azatricyclo[4.3.1.13,8]undecan-4-yl-[1-(2-fluorophenyl)cyclopropyl]methanone is sourced from PubChem (CID 102557619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).