8-[(4-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol

C17H21FO — CID 60799197

IUPAC8-[(4-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol
SMILESOC1(Cc2ccc(F)cc2)CC2CC1C1CCCC21
InChIInChI=1S/C17H21FO/c18-13-6-4-11(5-7-13)9-17(19)10-12-8-16(17)15-3-1-2-14(12)15/h4-7,12,14-16,19H,1-3,8-10H2
InChIKeyWBZXZWXGRJGLGL-UHFFFAOYSA-N
MW260.35 g/mol
LogP3.56
Rot. Bonds2

About 8-[(4-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol

8-[(4-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol (PubChem CID 60799197) has the molecular formula C17H21FO and a molecular weight of 260.35 g/mol. Its IUPAC name is 8-[(4-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol.

Molecular Properties

Compound Name8-[(4-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol
PubChem CID60799197
Molecular FormulaC17H21FO
Molecular Weight260.35 g/mol
Exact Mass260.16
IUPAC Name8-[(4-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol
SMILESOC1(Cc2ccc(F)cc2)CC2CC1C1CCCC21
InChIInChI=1S/C17H21FO/c18-13-6-4-11(5-7-13)9-17(19)10-12-8-16(17)15-3-1-2-14(12)15/h4-7,12,14-16,19H,1-3,8-10H2
InChIKeyWBZXZWXGRJGLGL-UHFFFAOYSA-N
XLogP3.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol?
The IUPAC name of 8-[(4-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol (CID 60799197) is 8-[(4-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol.
What is the SMILES notation for 8-[(4-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol?
The canonical SMILES for 8-[(4-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol is OC1(Cc2ccc(F)cc2)CC2CC1C1CCCC21.
What is the InChIKey of 8-[(4-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol?
The InChIKey is WBZXZWXGRJGLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FO/c18-13-6-4-11(5-7-13)9-17(19)10-12-8-16(17)15-3-1-2-14(12)15/h4-7,12,14-16,19H,1-3,8-10H2.
What are the key properties of 8-[(4-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol?
8-[(4-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol has a molecular weight of 260.35 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol is sourced from PubChem (CID 60799197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).