1-adamantyl-(4-fluoro-3-methylphenyl)methanone

C18H21FO — CID 62796901

IUPAC1-adamantyl-(4-fluoro-3-methylphenyl)methanone
SMILESCc1cc(C(=O)C23CC4CC(CC(C4)C2)C3)ccc1F
InChIInChI=1S/C18H21FO/c1-11-4-15(2-3-16(11)19)17(20)18-8-12-5-13(9-18)7-14(6-12)10-18/h2-4,12-14H,5-10H2,1H3
InChIKeyRIWITVLSCBGDSG-UHFFFAOYSA-N
MW272.36 g/mol
LogP4.53
Rot. Bonds2

About 1-adamantyl-(4-fluoro-3-methylphenyl)methanone

1-adamantyl-(4-fluoro-3-methylphenyl)methanone (PubChem CID 62796901) has the molecular formula C18H21FO and a molecular weight of 272.36 g/mol. Its IUPAC name is 1-adamantyl-(4-fluoro-3-methylphenyl)methanone.

Molecular Properties

Compound Name1-adamantyl-(4-fluoro-3-methylphenyl)methanone
PubChem CID62796901
Molecular FormulaC18H21FO
Molecular Weight272.36 g/mol
Exact Mass272.16
IUPAC Name1-adamantyl-(4-fluoro-3-methylphenyl)methanone
SMILESCc1cc(C(=O)C23CC4CC(CC(C4)C2)C3)ccc1F
InChIInChI=1S/C18H21FO/c1-11-4-15(2-3-16(11)19)17(20)18-8-12-5-13(9-18)7-14(6-12)10-18/h2-4,12-14H,5-10H2,1H3
InChIKeyRIWITVLSCBGDSG-UHFFFAOYSA-N
XLogP4.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-adamantyl-(4-fluoro-3-methylphenyl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-(4-fluoro-3-methylphenyl)methanone?
The IUPAC name of 1-adamantyl-(4-fluoro-3-methylphenyl)methanone (CID 62796901) is 1-adamantyl-(4-fluoro-3-methylphenyl)methanone.
What is the SMILES notation for 1-adamantyl-(4-fluoro-3-methylphenyl)methanone?
The canonical SMILES for 1-adamantyl-(4-fluoro-3-methylphenyl)methanone is Cc1cc(C(=O)C23CC4CC(CC(C4)C2)C3)ccc1F.
What is the InChIKey of 1-adamantyl-(4-fluoro-3-methylphenyl)methanone?
The InChIKey is RIWITVLSCBGDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO/c1-11-4-15(2-3-16(11)19)17(20)18-8-12-5-13(9-18)7-14(6-12)10-18/h2-4,12-14H,5-10H2,1H3.
What are the key properties of 1-adamantyl-(4-fluoro-3-methylphenyl)methanone?
1-adamantyl-(4-fluoro-3-methylphenyl)methanone has a molecular weight of 272.36 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-(4-fluoro-3-methylphenyl)methanone is sourced from PubChem (CID 62796901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).