8-[(3-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol

C17H21FO — CID 60799336

IUPAC8-[(3-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol
SMILESOC1(Cc2cccc(F)c2)CC2CC1C1CCCC21
InChIInChI=1S/C17H21FO/c18-13-4-1-3-11(7-13)9-17(19)10-12-8-16(17)15-6-2-5-14(12)15/h1,3-4,7,12,14-16,19H,2,5-6,8-10H2
InChIKeyLTIURMUFHIUDRO-UHFFFAOYSA-N
MW260.35 g/mol
LogP3.56
Rot. Bonds2

About 8-[(3-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol

8-[(3-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol (PubChem CID 60799336) has the molecular formula C17H21FO and a molecular weight of 260.35 g/mol. Its IUPAC name is 8-[(3-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol.

Molecular Properties

Compound Name8-[(3-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol
PubChem CID60799336
Molecular FormulaC17H21FO
Molecular Weight260.35 g/mol
Exact Mass260.16
IUPAC Name8-[(3-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol
SMILESOC1(Cc2cccc(F)c2)CC2CC1C1CCCC21
InChIInChI=1S/C17H21FO/c18-13-4-1-3-11(7-13)9-17(19)10-12-8-16(17)15-6-2-5-14(12)15/h1,3-4,7,12,14-16,19H,2,5-6,8-10H2
InChIKeyLTIURMUFHIUDRO-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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Related Compounds

8-[(4-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol
CID 60799197
8-[(3-methoxyphenyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol
CID 65147340
8-[(3-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 55028623
8-prop-2-ynyltricyclo[5.2.1.02,6]decan-8-ol
CID 63222407
8-(4-fluoro-2-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 62787485
1-fluoro-3-[(1-fluorocyclopropyl)methyl]benzene
CID 84717270
3-[2-(3-fluorophenyl)ethyl]-9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-ol
CID 171962432
1-cyclopropyl-3-[(3-fluorophenyl)methyl]urea
CID 47171959
1-cyclobutyl-2-(3-fluorophenyl)ethanone
CID 61078433
3-[2-(3-fluorophenyl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 102894120
2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]cyclohexan-1-ol
CID 23105839
2-[8-(2-hydroxyphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol
CID 19877938

Frequently Asked Questions

What is the IUPAC name of 8-[(3-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol?
The IUPAC name of 8-[(3-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol (CID 60799336) is 8-[(3-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol.
What is the SMILES notation for 8-[(3-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol?
The canonical SMILES for 8-[(3-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol is OC1(Cc2cccc(F)c2)CC2CC1C1CCCC21.
What is the InChIKey of 8-[(3-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol?
The InChIKey is LTIURMUFHIUDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FO/c18-13-4-1-3-11(7-13)9-17(19)10-12-8-16(17)15-6-2-5-14(12)15/h1,3-4,7,12,14-16,19H,2,5-6,8-10H2.
What are the key properties of 8-[(3-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol?
8-[(3-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-[(3-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol is sourced from PubChem (CID 60799336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).