(2-chloro-5-fluorophenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone

C13H12ClFO2 — CID 105394244

IUPAC(2-chloro-5-fluorophenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone
SMILESO=C(c1cc(F)ccc1Cl)C1CC2CCC1O2
InChIInChI=1S/C13H12ClFO2/c14-11-3-1-7(15)5-9(11)13(16)10-6-8-2-4-12(10)17-8/h1,3,5,8,10,12H,2,4,6H2
InChIKeyVLJNTOWOBUDHLA-UHFFFAOYSA-N
MW254.69 g/mol
LogP3.23
Rot. Bonds2

About (2-chloro-5-fluorophenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone

(2-chloro-5-fluorophenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone (PubChem CID 105394244) has the molecular formula C13H12ClFO2 and a molecular weight of 254.69 g/mol. Its IUPAC name is (2-chloro-5-fluorophenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone.

Molecular Properties

Compound Name(2-chloro-5-fluorophenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone
PubChem CID105394244
Molecular FormulaC13H12ClFO2
Molecular Weight254.69 g/mol
Exact Mass254.05
IUPAC Name(2-chloro-5-fluorophenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone
SMILESO=C(c1cc(F)ccc1Cl)C1CC2CCC1O2
InChIInChI=1S/C13H12ClFO2/c14-11-3-1-7(15)5-9(11)13(16)10-6-8-2-4-12(10)17-8/h1,3,5,8,10,12H,2,4,6H2
InChIKeyVLJNTOWOBUDHLA-UHFFFAOYSA-N
XLogP3.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.69
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2-chloro-5-fluorophenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone with MolForge

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Related Compounds

(2-chloro-5-fluorophenyl)-piperidin-4-ylmethanone;hydrochloride
CID 90039264
(4-chloro-1-methylpyrazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone
CID 114640238
(2-chloro-5-fluorophenyl)-pyrrolidin-2-ylmethanone
CID 105396376
(4-aminocyclopent-2-en-1-yl)-(2-chloro-5-fluorophenyl)methanone
CID 105396498
4-fluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 112702474
2-bromo-4-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 80602019
(5-fluoro-2-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171947307
2-chloro-5-hydroxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 106502018
(2-chloro-5-fluorophenyl)-(2-chlorofuran-3-yl)methanone
CID 106691354
1-adamantyl-(2-chloro-5-fluorophenyl)methanone
CID 105394220
2-(3-aminoprop-1-ynyl)-4-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 80716084
(1R,2S,4R)-N-[(2R)-2-(3-fluorophenoxy)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 98774987

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-fluorophenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone?
The IUPAC name of (2-chloro-5-fluorophenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone (CID 105394244) is (2-chloro-5-fluorophenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone.
What is the SMILES notation for (2-chloro-5-fluorophenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone?
The canonical SMILES for (2-chloro-5-fluorophenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone is O=C(c1cc(F)ccc1Cl)C1CC2CCC1O2.
What is the InChIKey of (2-chloro-5-fluorophenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone?
The InChIKey is VLJNTOWOBUDHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFO2/c14-11-3-1-7(15)5-9(11)13(16)10-6-8-2-4-12(10)17-8/h1,3,5,8,10,12H,2,4,6H2.
What are the key properties of (2-chloro-5-fluorophenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone?
(2-chloro-5-fluorophenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone has a molecular weight of 254.69 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-fluorophenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone is sourced from PubChem (CID 105394244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).