1-adamantyl-(2-chloro-5-fluorophenyl)methanone

C17H18ClFO — CID 105394220

IUPAC1-adamantyl-(2-chloro-5-fluorophenyl)methanone
SMILESO=C(c1cc(F)ccc1Cl)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H18ClFO/c18-15-2-1-13(19)6-14(15)16(20)17-7-10-3-11(8-17)5-12(4-10)9-17/h1-2,6,10-12H,3-5,7-9H2
InChIKeyRUKNYSLTVYMGFE-UHFFFAOYSA-N
MW292.78 g/mol
LogP4.88
Rot. Bonds2

About 1-adamantyl-(2-chloro-5-fluorophenyl)methanone

1-adamantyl-(2-chloro-5-fluorophenyl)methanone (PubChem CID 105394220) has the molecular formula C17H18ClFO and a molecular weight of 292.78 g/mol. Its IUPAC name is 1-adamantyl-(2-chloro-5-fluorophenyl)methanone.

Molecular Properties

Compound Name1-adamantyl-(2-chloro-5-fluorophenyl)methanone
PubChem CID105394220
Molecular FormulaC17H18ClFO
Molecular Weight292.78 g/mol
Exact Mass292.10
IUPAC Name1-adamantyl-(2-chloro-5-fluorophenyl)methanone
SMILESO=C(c1cc(F)ccc1Cl)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H18ClFO/c18-15-2-1-13(19)6-14(15)16(20)17-7-10-3-11(8-17)5-12(4-10)9-17/h1-2,6,10-12H,3-5,7-9H2
InChIKeyRUKNYSLTVYMGFE-UHFFFAOYSA-N
XLogP4.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.78
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-adamantyl-(4-fluoro-3,5-dimethylphenyl)methanone
CID 65298881
(2-chloro-5-fluorophenyl)-(1-hydroxycyclopentyl)methanone
CID 103447915
1-adamantyl-(4-fluoro-3-methylphenyl)methanone
CID 62796901
1-adamantyl-(3,5-dimethylphenyl)methanone
CID 63409870
(2-chloro-5-fluorophenyl)-(1-hydroxycyclohexyl)methanone
CID 103449806
1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-one
CID 105394181
2-chloro-1-(2-chloro-5-fluorophenyl)propan-1-one
CID 118804223
N-(1-adamantyl)-5-fluoro-2-hydroxybenzamide
CID 115298818
1-adamantyl-(2-methylphenyl)methanone
CID 62796226
N-[7-(2-chloro-5-fluorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide
CID 59663643
2-(2-chloro-5-fluorophenyl)-2-oxoacetic acid
CID 117291128
N-(2-amino-4-fluorophenyl)adamantane-1-carboxamide
CID 16773628

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-(2-chloro-5-fluorophenyl)methanone?
The IUPAC name of 1-adamantyl-(2-chloro-5-fluorophenyl)methanone (CID 105394220) is 1-adamantyl-(2-chloro-5-fluorophenyl)methanone.
What is the SMILES notation for 1-adamantyl-(2-chloro-5-fluorophenyl)methanone?
The canonical SMILES for 1-adamantyl-(2-chloro-5-fluorophenyl)methanone is O=C(c1cc(F)ccc1Cl)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl-(2-chloro-5-fluorophenyl)methanone?
The InChIKey is RUKNYSLTVYMGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFO/c18-15-2-1-13(19)6-14(15)16(20)17-7-10-3-11(8-17)5-12(4-10)9-17/h1-2,6,10-12H,3-5,7-9H2.
What are the key properties of 1-adamantyl-(2-chloro-5-fluorophenyl)methanone?
1-adamantyl-(2-chloro-5-fluorophenyl)methanone has a molecular weight of 292.78 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-(2-chloro-5-fluorophenyl)methanone is sourced from PubChem (CID 105394220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).