(2-methyl-2-adamantyl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate

C18H24F2O4 — CID 90328371

IUPAC(2-methyl-2-adamantyl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate
SMILESC=C(COC(=O)C(C)(F)F)C(=O)OC1(C)C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H24F2O4/c1-10(9-23-16(22)18(3,19)20)15(21)24-17(2)13-5-11-4-12(7-13)8-14(17)6-11/h11-14H,1,4-9H2,2-3H3
InChIKeyOATVANBJFNZVDF-UHFFFAOYSA-N
MW342.38 g/mol
LogP3.50
Rot. Bonds5

About (2-methyl-2-adamantyl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate

(2-methyl-2-adamantyl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate (PubChem CID 90328371) has the molecular formula C18H24F2O4 and a molecular weight of 342.38 g/mol. Its IUPAC name is (2-methyl-2-adamantyl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate.

Molecular Properties

Compound Name(2-methyl-2-adamantyl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate
PubChem CID90328371
Molecular FormulaC18H24F2O4
Molecular Weight342.38 g/mol
Exact Mass342.16
IUPAC Name(2-methyl-2-adamantyl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate
SMILESC=C(COC(=O)C(C)(F)F)C(=O)OC1(C)C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H24F2O4/c1-10(9-23-16(22)18(3,19)20)15(21)24-17(2)13-5-11-4-12(7-13)8-14(17)6-11/h11-14H,1,4-9H2,2-3H3
InChIKeyOATVANBJFNZVDF-UHFFFAOYSA-N
XLogP3.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2-methyl-2-adamantyl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate 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-Ethyl-2-methacryloyloxyadamantane
CID 9813645
2-Methyl-2-adamantyl methacrylate
CID 9837566
2-Isopropyl-2-methacryloyloxyadamantane
CID 12097425
(2-Methyl-2-adamantyl) 2-methylprop-2-enoate;(5-oxooxolan-3-yl) 2-methylprop-2-enoate
CID 159649744
2-(Methoxymethyl)adamantan-2-yl 2-methylacrylate
CID 58800752
(2-Ethyl-2-adamantyl) 2-(trifluoromethyl)prop-2-enoate
CID 10063480
(2-Butyl-2-adamantyl) 2-(trifluoromethyl)prop-2-enoate
CID 10359280
2-(2-Trifluoromethyl-2-propenoyloxy)-2-methyladamantane
CID 11300692
2-(2-Adamantyl)propan-2-yl 2-(trifluoromethyl)prop-2-enoate
CID 23399641
(2-Propyl-2-adamantyl) 2-(trifluoromethyl)prop-2-enoate
CID 23399642
(1,3,4,4,5,6,6,7,8,8,9,9,10,10-Tetradecafluoro-2-methyl-2-adamantyl) 2-methylprop-2-enoate
CID 23544895
(2-Ethyl-1,3,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-2-adamantyl) 2-methylprop-2-enoate
CID 23544906

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2-adamantyl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate?
The IUPAC name of (2-methyl-2-adamantyl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate (CID 90328371) is (2-methyl-2-adamantyl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate.
What is the SMILES notation for (2-methyl-2-adamantyl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate?
The canonical SMILES for (2-methyl-2-adamantyl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate is C=C(COC(=O)C(C)(F)F)C(=O)OC1(C)C2CC3CC(C2)CC1C3.
What is the InChIKey of (2-methyl-2-adamantyl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate?
The InChIKey is OATVANBJFNZVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2O4/c1-10(9-23-16(22)18(3,19)20)15(21)24-17(2)13-5-11-4-12(7-13)8-14(17)6-11/h11-14H,1,4-9H2,2-3H3.
What are the key properties of (2-methyl-2-adamantyl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate?
(2-methyl-2-adamantyl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate has a molecular weight of 342.38 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2-adamantyl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate is sourced from PubChem (CID 90328371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).