1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)ethanol

C15H19FO — CID 63017529

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)ethanol
SMILESOC(Cc1ccccc1F)C1CC2CCC1C2
InChIInChI=1S/C15H19FO/c16-14-4-2-1-3-12(14)9-15(17)13-8-10-5-6-11(13)7-10/h1-4,10-11,13,15,17H,5-9H2
InChIKeyDPCNJUMANYULGR-UHFFFAOYSA-N
MW234.31 g/mol
LogP3.17
Rot. Bonds3

About 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)ethanol

1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)ethanol (PubChem CID 63017529) has the molecular formula C15H19FO and a molecular weight of 234.31 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)ethanol
PubChem CID63017529
Molecular FormulaC15H19FO
Molecular Weight234.31 g/mol
Exact Mass234.14
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)ethanol
SMILESOC(Cc1ccccc1F)C1CC2CCC1C2
InChIInChI=1S/C15H19FO/c16-14-4-2-1-3-12(14)9-15(17)13-8-10-5-6-11(13)7-10/h1-4,10-11,13,15,17H,5-9H2
InChIKeyDPCNJUMANYULGR-UHFFFAOYSA-N
XLogP3.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 61365737
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 61365738
1-(2-bicyclo[2.2.1]heptanyl)-2-(2-chloro-5-fluorophenyl)ethanol
CID 102618237
1-(2-bicyclo[2.2.1]heptanyl)-2-naphthalen-1-ylethanamine
CID 63528750
1-(2-bicyclo[2.2.1]heptanyl)-2-(3,4-dimethylphenyl)ethanol
CID 63017843
1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)sulfanylethanamine
CID 114245897
1-(2-bicyclo[2.2.2]octanyl)-2-(4-chlorophenyl)ethanol
CID 121456482
2-(2-fluorophenyl)-1-(oxan-2-yl)ethanol
CID 114977828
2-(2-bromo-3-fluorophenyl)-1-(2-methylcyclopentyl)ethanol
CID 107192743
2-(2-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanol
CID 112653482
N-[2-(2-fluorophenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 47014220
2-(2-amino-3-fluorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetic acid
CID 106987792

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)ethanol?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)ethanol (CID 63017529) is 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)ethanol.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)ethanol?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)ethanol is OC(Cc1ccccc1F)C1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)ethanol?
The InChIKey is DPCNJUMANYULGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO/c16-14-4-2-1-3-12(14)9-15(17)13-8-10-5-6-11(13)7-10/h1-4,10-11,13,15,17H,5-9H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)ethanol?
1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)ethanol has a molecular weight of 234.31 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)ethanol is sourced from PubChem (CID 63017529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).