(2,4-difluoro-5-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone

C15H16F2O2 — CID 171947649

IUPAC(2,4-difluoro-5-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
SMILESCc1cc(C(=O)C2CC3CCC(C2)O3)c(F)cc1F
InChIInChI=1S/C15H16F2O2/c1-8-4-12(14(17)7-13(8)16)15(18)9-5-10-2-3-11(6-9)19-10/h4,7,9-11H,2-3,5-6H2,1H3
InChIKeyWUDLKDHNWMTCSI-UHFFFAOYSA-N
MW266.29 g/mol
LogP3.41
Rot. Bonds2

About (2,4-difluoro-5-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone

(2,4-difluoro-5-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 171947649) has the molecular formula C15H16F2O2 and a molecular weight of 266.29 g/mol. Its IUPAC name is (2,4-difluoro-5-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Name(2,4-difluoro-5-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID171947649
Molecular FormulaC15H16F2O2
Molecular Weight266.29 g/mol
Exact Mass266.11
IUPAC Name(2,4-difluoro-5-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
SMILESCc1cc(C(=O)C2CC3CCC(C2)O3)c(F)cc1F
InChIInChI=1S/C15H16F2O2/c1-8-4-12(14(17)7-13(8)16)15(18)9-5-10-2-3-11(6-9)19-10/h4,7,9-11H,2-3,5-6H2,1H3
InChIKeyWUDLKDHNWMTCSI-UHFFFAOYSA-N
XLogP3.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluoro-5-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171944974
8-azabicyclo[3.2.1]octan-3-yl-(2,4-difluoro-5-methylphenyl)methanone
CID 171947643
(2,4-difluoro-5-methylphenyl)-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171947652
(2-fluoro-5-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171947407
(2-fluorophenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171950940
(5-fluoro-2-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171947307
(4-methoxy-2-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171947158
(2,6-dimethyl-4-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171943649
(4-methoxy-3,5-dimethylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171940676
(4-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171950826
[3-methyl-4-(trifluoromethyl)phenyl]-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171949890
oxan-4-yl-(2,4,5-trifluorophenyl)methanone
CID 103301496

Frequently Asked Questions

What is the IUPAC name of (2,4-difluoro-5-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of (2,4-difluoro-5-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone (CID 171947649) is (2,4-difluoro-5-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for (2,4-difluoro-5-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for (2,4-difluoro-5-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone is Cc1cc(C(=O)C2CC3CCC(C2)O3)c(F)cc1F.
What is the InChIKey of (2,4-difluoro-5-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is WUDLKDHNWMTCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2O2/c1-8-4-12(14(17)7-13(8)16)15(18)9-5-10-2-3-11(6-9)19-10/h4,7,9-11H,2-3,5-6H2,1H3.
What are the key properties of (2,4-difluoro-5-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
(2,4-difluoro-5-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 266.29 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluoro-5-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 171947649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).