2,2-difluoropropyl 3-hydroxy-5-methoxyadamantane-1-carboxylate

C15H22F2O4 — CID 58341536

IUPAC2,2-difluoropropyl 3-hydroxy-5-methoxyadamantane-1-carboxylate
SMILESCOC12CC3CC(O)(C1)CC(C(=O)OCC(C)(F)F)(C3)C2
InChIInChI=1S/C15H22F2O4/c1-12(16,17)9-21-11(18)13-3-10-4-14(19,6-13)8-15(5-10,7-13)20-2/h10,19H,3-9H2,1-2H3
InChIKeyMELAMFYLGFCVIY-UHFFFAOYSA-N
MW304.33 g/mol
LogP2.29
Rot. Bonds4

About 2,2-difluoropropyl 3-hydroxy-5-methoxyadamantane-1-carboxylate

2,2-difluoropropyl 3-hydroxy-5-methoxyadamantane-1-carboxylate (PubChem CID 58341536) has the molecular formula C15H22F2O4 and a molecular weight of 304.33 g/mol. Its IUPAC name is 2,2-difluoropropyl 3-hydroxy-5-methoxyadamantane-1-carboxylate.

Molecular Properties

Compound Name2,2-difluoropropyl 3-hydroxy-5-methoxyadamantane-1-carboxylate
PubChem CID58341536
Molecular FormulaC15H22F2O4
Molecular Weight304.33 g/mol
Exact Mass304.15
IUPAC Name2,2-difluoropropyl 3-hydroxy-5-methoxyadamantane-1-carboxylate
SMILESCOC12CC3CC(O)(C1)CC(C(=O)OCC(C)(F)F)(C3)C2
InChIInChI=1S/C15H22F2O4/c1-12(16,17)9-21-11(18)13-3-10-4-14(19,6-13)8-15(5-10,7-13)20-2/h10,19H,3-9H2,1-2H3
InChIKeyMELAMFYLGFCVIY-UHFFFAOYSA-N
XLogP2.29
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2-difluoropropyl 3-hydroxy-5-methoxyadamantane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-difluoropropyl 3-hydroxy-5-[2-(1-methylcyclohexyl)oxy-2-oxoethoxy]adamantane-1-carboxylate
CID 58264703
2,2-difluoropropyl 3-[2-[(3-hydroxy-1-adamantyl)oxy]-2-oxoethoxy]adamantane-1-carboxylate
CID 58264790
2,2-difluoropropyl 3-[(3-hydroxy-1-adamantyl)methoxycarbonyloxy]adamantane-1-carboxylate
CID 157260819
tert-butyl 3-(2-aminoacetyl)oxy-5-hydroxyadamantane-1-carboxylate
CID 118879369
2,2-difluoropropyl 3-butoxyadamantane-1-carboxylate;2,2-difluoropropyl 5-butoxyadamantane-2-carboxylate;2,2-difluoropropyl 3,5-dimethoxyadamantane-1-carboxylate;2,2-difluoropropyl 3-ethoxyadamantane-1-carboxylate;2,2-difluoropropyl 3-methoxyadamantane-1-carboxylate
CID 158057148
2,2-difluoropropyl 3-butoxyadamantane-1-carboxylate;2,2-difluoropropyl 3-ethoxyadamantane-1-carboxylate
CID 123259647
(2,2-difluoro-2-sulfanylethyl) 3-hydroxyadamantane-1-carboxylate
CID 148762586
butyl 3-hydroxy-5-prop-2-enoyloxyadamantane-1-carboxylate
CID 22986505
(3-hydroxy-5-methoxy-1-adamantyl) 2-methylbutanoate
CID 58975850
sodium 1,1-difluoro-2-(3-hydroxyadamantane-1-carbonyl)oxyethanesulfonate
CID 59185153
2-[(3-hydroxy-1-adamantyl)oxy]ethyl 2,2-difluoropropanoate
CID 59602370
1,1-difluoro-2-[3-hydroxy-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]adamantane-1-carbonyl]oxyethanesulfonic acid
CID 88946649

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoropropyl 3-hydroxy-5-methoxyadamantane-1-carboxylate?
The IUPAC name of 2,2-difluoropropyl 3-hydroxy-5-methoxyadamantane-1-carboxylate (CID 58341536) is 2,2-difluoropropyl 3-hydroxy-5-methoxyadamantane-1-carboxylate.
What is the SMILES notation for 2,2-difluoropropyl 3-hydroxy-5-methoxyadamantane-1-carboxylate?
The canonical SMILES for 2,2-difluoropropyl 3-hydroxy-5-methoxyadamantane-1-carboxylate is COC12CC3CC(O)(C1)CC(C(=O)OCC(C)(F)F)(C3)C2.
What is the InChIKey of 2,2-difluoropropyl 3-hydroxy-5-methoxyadamantane-1-carboxylate?
The InChIKey is MELAMFYLGFCVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2O4/c1-12(16,17)9-21-11(18)13-3-10-4-14(19,6-13)8-15(5-10,7-13)20-2/h10,19H,3-9H2,1-2H3.
What are the key properties of 2,2-difluoropropyl 3-hydroxy-5-methoxyadamantane-1-carboxylate?
2,2-difluoropropyl 3-hydroxy-5-methoxyadamantane-1-carboxylate has a molecular weight of 304.33 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoropropyl 3-hydroxy-5-methoxyadamantane-1-carboxylate is sourced from PubChem (CID 58341536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).