3,5-difluoroadamantan-1-ol

C10H14F2O — CID 20574223

IUPAC3,5-difluoroadamantan-1-ol
SMILESOC12CC3CC(F)(C1)CC(F)(C3)C2
InChIInChI=1S/C10H14F2O/c11-8-1-7-2-9(12,4-8)6-10(13,3-7)5-8/h7,13H,1-6H2
InChIKeyORSMTNXKKDPTOV-UHFFFAOYSA-N
MW188.22 g/mol
LogP2.13
Rot. Bonds

About 3,5-difluoroadamantan-1-ol

3,5-difluoroadamantan-1-ol (PubChem CID 20574223) has the molecular formula C10H14F2O and a molecular weight of 188.22 g/mol. Its IUPAC name is 3,5-difluoroadamantan-1-ol.

Molecular Properties

Compound Name3,5-difluoroadamantan-1-ol
PubChem CID20574223
Molecular FormulaC10H14F2O
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name3,5-difluoroadamantan-1-ol
SMILESOC12CC3CC(F)(C1)CC(F)(C3)C2
InChIInChI=1S/C10H14F2O/c11-8-1-7-2-9(12,4-8)6-10(13,3-7)5-8/h7,13H,1-6H2
InChIKeyORSMTNXKKDPTOV-UHFFFAOYSA-N
XLogP2.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoroadamantan-1-ol?
The IUPAC name of 3,5-difluoroadamantan-1-ol (CID 20574223) is 3,5-difluoroadamantan-1-ol.
What is the SMILES notation for 3,5-difluoroadamantan-1-ol?
The canonical SMILES for 3,5-difluoroadamantan-1-ol is OC12CC3CC(F)(C1)CC(F)(C3)C2.
What is the InChIKey of 3,5-difluoroadamantan-1-ol?
The InChIKey is ORSMTNXKKDPTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2O/c11-8-1-7-2-9(12,4-8)6-10(13,3-7)5-8/h7,13H,1-6H2.
What are the key properties of 3,5-difluoroadamantan-1-ol?
3,5-difluoroadamantan-1-ol has a molecular weight of 188.22 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoroadamantan-1-ol is sourced from PubChem (CID 20574223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).