6-(2,2-difluoropropoxymethyl)-3-methoxyadamantan-1-ol

C15H24F2O3 — CID 58185954

IUPAC6-(2,2-difluoropropoxymethyl)-3-methoxyadamantan-1-ol
SMILESCOC12CC3CC(O)(CC(C1)C3COCC(C)(F)F)C2
InChIInChI=1S/C15H24F2O3/c1-13(16,17)9-20-7-12-10-3-14(18)4-11(12)6-15(5-10,8-14)19-2/h10-12,18H,3-9H2,1-2H3
InChIKeyQRRMAVWVLBZWOH-UHFFFAOYSA-N
MW290.35 g/mol
LogP2.61
Rot. Bonds5

About 6-(2,2-difluoropropoxymethyl)-3-methoxyadamantan-1-ol

6-(2,2-difluoropropoxymethyl)-3-methoxyadamantan-1-ol (PubChem CID 58185954) has the molecular formula C15H24F2O3 and a molecular weight of 290.35 g/mol. Its IUPAC name is 6-(2,2-difluoropropoxymethyl)-3-methoxyadamantan-1-ol.

Molecular Properties

Compound Name6-(2,2-difluoropropoxymethyl)-3-methoxyadamantan-1-ol
PubChem CID58185954
Molecular FormulaC15H24F2O3
Molecular Weight290.35 g/mol
Exact Mass290.17
IUPAC Name6-(2,2-difluoropropoxymethyl)-3-methoxyadamantan-1-ol
SMILESCOC12CC3CC(O)(CC(C1)C3COCC(C)(F)F)C2
InChIInChI=1S/C15H24F2O3/c1-13(16,17)9-20-7-12-10-3-14(18)4-11(12)6-15(5-10,8-14)19-2/h10-12,18H,3-9H2,1-2H3
InChIKeyQRRMAVWVLBZWOH-UHFFFAOYSA-N
XLogP2.61
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoropropoxymethyl)-3-methoxyadamantan-1-ol?
The IUPAC name of 6-(2,2-difluoropropoxymethyl)-3-methoxyadamantan-1-ol (CID 58185954) is 6-(2,2-difluoropropoxymethyl)-3-methoxyadamantan-1-ol.
What is the SMILES notation for 6-(2,2-difluoropropoxymethyl)-3-methoxyadamantan-1-ol?
The canonical SMILES for 6-(2,2-difluoropropoxymethyl)-3-methoxyadamantan-1-ol is COC12CC3CC(O)(CC(C1)C3COCC(C)(F)F)C2.
What is the InChIKey of 6-(2,2-difluoropropoxymethyl)-3-methoxyadamantan-1-ol?
The InChIKey is QRRMAVWVLBZWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2O3/c1-13(16,17)9-20-7-12-10-3-14(18)4-11(12)6-15(5-10,8-14)19-2/h10-12,18H,3-9H2,1-2H3.
What are the key properties of 6-(2,2-difluoropropoxymethyl)-3-methoxyadamantan-1-ol?
6-(2,2-difluoropropoxymethyl)-3-methoxyadamantan-1-ol has a molecular weight of 290.35 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluoropropoxymethyl)-3-methoxyadamantan-1-ol is sourced from PubChem (CID 58185954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).