5-[(4-fluorophenyl)methyl]-5-azahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecan-4-ol

C18H18FNO — CID 71718810

IUPAC5-[(4-fluorophenyl)methyl]-5-azahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecan-4-ol
SMILESOC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccc(F)cc1
InChIInChI=1S/C18H18FNO/c19-8-3-1-7(2-4-8)6-20-17-13-9-5-10-12-11(9)14(17)16(12)18(20,21)15(10)13/h1-4,9-17,21H,5-6H2
InChIKeyZNCNRWUMNFNHSO-UHFFFAOYSA-N
MW283.35 g/mol
LogP2.09
Rot. Bonds2

About 5-[(4-fluorophenyl)methyl]-5-azahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecan-4-ol

5-[(4-fluorophenyl)methyl]-5-azahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecan-4-ol (PubChem CID 71718810) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-5-azahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecan-4-ol.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-5-azahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecan-4-ol
PubChem CID71718810
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name5-[(4-fluorophenyl)methyl]-5-azahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecan-4-ol
SMILESOC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccc(F)cc1
InChIInChI=1S/C18H18FNO/c19-8-3-1-7(2-4-8)6-20-17-13-9-5-10-12-11(9)14(17)16(12)18(20,21)15(10)13/h1-4,9-17,21H,5-6H2
InChIKeyZNCNRWUMNFNHSO-UHFFFAOYSA-N
XLogP2.09
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-5-azahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecan-4-ol?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-5-azahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecan-4-ol (CID 71718810) is 5-[(4-fluorophenyl)methyl]-5-azahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecan-4-ol.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-5-azahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecan-4-ol?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-5-azahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecan-4-ol is OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccc(F)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-5-azahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecan-4-ol?
The InChIKey is ZNCNRWUMNFNHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO/c19-8-3-1-7(2-4-8)6-20-17-13-9-5-10-12-11(9)14(17)16(12)18(20,21)15(10)13/h1-4,9-17,21H,5-6H2.
What are the key properties of 5-[(4-fluorophenyl)methyl]-5-azahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecan-4-ol?
5-[(4-fluorophenyl)methyl]-5-azahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecan-4-ol has a molecular weight of 283.35 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-5-azahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecan-4-ol is sourced from PubChem (CID 71718810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).