1-adamantyl-(2,5-difluorophenyl)methanol

C17H20F2O — CID 63410694

IUPAC1-adamantyl-(2,5-difluorophenyl)methanol
SMILESOC(c1cc(F)ccc1F)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H20F2O/c18-13-1-2-15(19)14(6-13)16(20)17-7-10-3-11(8-17)5-12(4-10)9-17/h1-2,6,10-12,16,20H,3-5,7-9H2
InChIKeyGHXPOLFRLMPCHP-UHFFFAOYSA-N
MW278.34 g/mol
LogP4.21
Rot. Bonds2

About 1-adamantyl-(2,5-difluorophenyl)methanol

1-adamantyl-(2,5-difluorophenyl)methanol (PubChem CID 63410694) has the molecular formula C17H20F2O and a molecular weight of 278.34 g/mol. Its IUPAC name is 1-adamantyl-(2,5-difluorophenyl)methanol.

Molecular Properties

Compound Name1-adamantyl-(2,5-difluorophenyl)methanol
PubChem CID63410694
Molecular FormulaC17H20F2O
Molecular Weight278.34 g/mol
Exact Mass278.15
IUPAC Name1-adamantyl-(2,5-difluorophenyl)methanol
SMILESOC(c1cc(F)ccc1F)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H20F2O/c18-13-1-2-15(19)14(6-13)16(20)17-7-10-3-11(8-17)5-12(4-10)9-17/h1-2,6,10-12,16,20H,3-5,7-9H2
InChIKeyGHXPOLFRLMPCHP-UHFFFAOYSA-N
XLogP4.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-(2,5-difluorophenyl)methanol?
The IUPAC name of 1-adamantyl-(2,5-difluorophenyl)methanol (CID 63410694) is 1-adamantyl-(2,5-difluorophenyl)methanol.
What is the SMILES notation for 1-adamantyl-(2,5-difluorophenyl)methanol?
The canonical SMILES for 1-adamantyl-(2,5-difluorophenyl)methanol is OC(c1cc(F)ccc1F)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl-(2,5-difluorophenyl)methanol?
The InChIKey is GHXPOLFRLMPCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2O/c18-13-1-2-15(19)14(6-13)16(20)17-7-10-3-11(8-17)5-12(4-10)9-17/h1-2,6,10-12,16,20H,3-5,7-9H2.
What are the key properties of 1-adamantyl-(2,5-difluorophenyl)methanol?
1-adamantyl-(2,5-difluorophenyl)methanol has a molecular weight of 278.34 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-(2,5-difluorophenyl)methanol is sourced from PubChem (CID 63410694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).