4-(2,2-difluoropropoxymethyl)-1-methyladamantane

C15H24F2O — CID 58185979

IUPAC4-(2,2-difluoropropoxymethyl)-1-methyladamantane
SMILESCC(F)(F)COCC1C2CC3CC1CC(C)(C3)C2
InChIInChI=1S/C15H24F2O/c1-14-5-10-3-11(6-14)13(12(4-10)7-14)8-18-9-15(2,16)17/h10-13H,3-9H2,1-2H3
InChIKeyILUMISFMHZAECP-UHFFFAOYSA-N
MW258.35 g/mol
LogP4.12
Rot. Bonds4

About 4-(2,2-difluoropropoxymethyl)-1-methyladamantane

4-(2,2-difluoropropoxymethyl)-1-methyladamantane (PubChem CID 58185979) has the molecular formula C15H24F2O and a molecular weight of 258.35 g/mol. Its IUPAC name is 4-(2,2-difluoropropoxymethyl)-1-methyladamantane.

Molecular Properties

Compound Name4-(2,2-difluoropropoxymethyl)-1-methyladamantane
PubChem CID58185979
Molecular FormulaC15H24F2O
Molecular Weight258.35 g/mol
Exact Mass258.18
IUPAC Name4-(2,2-difluoropropoxymethyl)-1-methyladamantane
SMILESCC(F)(F)COCC1C2CC3CC1CC(C)(C3)C2
InChIInChI=1S/C15H24F2O/c1-14-5-10-3-11(6-14)13(12(4-10)7-14)8-18-9-15(2,16)17/h10-13H,3-9H2,1-2H3
InChIKeyILUMISFMHZAECP-UHFFFAOYSA-N
XLogP4.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoropropoxymethyl)-1-methyladamantane?
The IUPAC name of 4-(2,2-difluoropropoxymethyl)-1-methyladamantane (CID 58185979) is 4-(2,2-difluoropropoxymethyl)-1-methyladamantane.
What is the SMILES notation for 4-(2,2-difluoropropoxymethyl)-1-methyladamantane?
The canonical SMILES for 4-(2,2-difluoropropoxymethyl)-1-methyladamantane is CC(F)(F)COCC1C2CC3CC1CC(C)(C3)C2.
What is the InChIKey of 4-(2,2-difluoropropoxymethyl)-1-methyladamantane?
The InChIKey is ILUMISFMHZAECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2O/c1-14-5-10-3-11(6-14)13(12(4-10)7-14)8-18-9-15(2,16)17/h10-13H,3-9H2,1-2H3.
What are the key properties of 4-(2,2-difluoropropoxymethyl)-1-methyladamantane?
4-(2,2-difluoropropoxymethyl)-1-methyladamantane has a molecular weight of 258.35 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoropropoxymethyl)-1-methyladamantane is sourced from PubChem (CID 58185979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).