2-adamantyl-(3,4-difluorophenyl)methanone

C17H18F2O — CID 81100525

IUPAC2-adamantyl-(3,4-difluorophenyl)methanone
SMILESO=C(c1ccc(F)c(F)c1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H18F2O/c18-14-2-1-11(8-15(14)19)17(20)16-12-4-9-3-10(6-12)7-13(16)5-9/h1-2,8-10,12-13,16H,3-7H2
InChIKeyIPEHHVDKJRQPNY-UHFFFAOYSA-N
MW276.33 g/mol
LogP4.22
Rot. Bonds2

About 2-adamantyl-(3,4-difluorophenyl)methanone

2-adamantyl-(3,4-difluorophenyl)methanone (PubChem CID 81100525) has the molecular formula C17H18F2O and a molecular weight of 276.33 g/mol. Its IUPAC name is 2-adamantyl-(3,4-difluorophenyl)methanone.

Molecular Properties

Compound Name2-adamantyl-(3,4-difluorophenyl)methanone
PubChem CID81100525
Molecular FormulaC17H18F2O
Molecular Weight276.33 g/mol
Exact Mass276.13
IUPAC Name2-adamantyl-(3,4-difluorophenyl)methanone
SMILESO=C(c1ccc(F)c(F)c1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H18F2O/c18-14-2-1-11(8-15(14)19)17(20)16-12-4-9-3-10(6-12)7-13(16)5-9/h1-2,8-10,12-13,16H,3-7H2
InChIKeyIPEHHVDKJRQPNY-UHFFFAOYSA-N
XLogP4.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-adamantyl-(3,4-difluorophenyl)methanone 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-adamantyl-(4-amino-3-fluorophenyl)methanone
CID 81099471
(3,4-difluorophenyl)-(5-methyloxolan-3-yl)methanone
CID 114824695
2-adamantyl(1H-pyrrol-3-yl)methanone
CID 81096549
(3,4-difluorophenyl)-(2-methyloxolan-3-yl)methanone
CID 79758215
6-(3,4-difluorobenzoyl)cyclohex-3-ene-1-carboxylic acid
CID 146004367
[(1R,4S)-3-(4-fluoro-3-nitrobenzoyl)-2-bicyclo[2.2.1]heptanyl]-(4-fluoro-3-nitrophenyl)methanone
CID 10646275
(3,4-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 105098223
(3,4-difluorophenyl)-[4-(methylamino)cyclohexyl]methanone
CID 116917605
1-(2-adamantyl)-2-(2,4-dichlorophenyl)ethanone
CID 114967204
(3,4-difluorophenyl)-(4-methoxypyrrolidin-2-yl)methanone
CID 116560501
N-(2-aminocyclopropyl)-3,4-difluorobenzamide
CID 43593845
2-(3,4-difluorophenyl)-2-oxoacetic acid
CID 23092017

Frequently Asked Questions

What is the IUPAC name of 2-adamantyl-(3,4-difluorophenyl)methanone?
The IUPAC name of 2-adamantyl-(3,4-difluorophenyl)methanone (CID 81100525) is 2-adamantyl-(3,4-difluorophenyl)methanone.
What is the SMILES notation for 2-adamantyl-(3,4-difluorophenyl)methanone?
The canonical SMILES for 2-adamantyl-(3,4-difluorophenyl)methanone is O=C(c1ccc(F)c(F)c1)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-adamantyl-(3,4-difluorophenyl)methanone?
The InChIKey is IPEHHVDKJRQPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2O/c18-14-2-1-11(8-15(14)19)17(20)16-12-4-9-3-10(6-12)7-13(16)5-9/h1-2,8-10,12-13,16H,3-7H2.
What are the key properties of 2-adamantyl-(3,4-difluorophenyl)methanone?
2-adamantyl-(3,4-difluorophenyl)methanone has a molecular weight of 276.33 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-adamantyl-(3,4-difluorophenyl)methanone is sourced from PubChem (CID 81100525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).