1-[3-[(4-fluorooxan-4-yl)methyl]phenyl]ethanone

C14H17FO2 — CID 84727295

IUPAC1-[3-[(4-fluorooxan-4-yl)methyl]phenyl]ethanone
SMILESCC(=O)c1cccc(CC2(F)CCOCC2)c1
InChIInChI=1S/C14H17FO2/c1-11(16)13-4-2-3-12(9-13)10-14(15)5-7-17-8-6-14/h2-4,9H,5-8,10H2,1H3
InChIKeyFXEKIJPNMOBASJ-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.95
Rot. Bonds3

About 1-[3-[(4-fluorooxan-4-yl)methyl]phenyl]ethanone

1-[3-[(4-fluorooxan-4-yl)methyl]phenyl]ethanone (PubChem CID 84727295) has the molecular formula C14H17FO2 and a molecular weight of 236.29 g/mol. Its IUPAC name is 1-[3-[(4-fluorooxan-4-yl)methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(4-fluorooxan-4-yl)methyl]phenyl]ethanone
PubChem CID84727295
Molecular FormulaC14H17FO2
Molecular Weight236.29 g/mol
Exact Mass236.12
IUPAC Name1-[3-[(4-fluorooxan-4-yl)methyl]phenyl]ethanone
SMILESCC(=O)c1cccc(CC2(F)CCOCC2)c1
InChIInChI=1S/C14H17FO2/c1-11(16)13-4-2-3-12(9-13)10-14(15)5-7-17-8-6-14/h2-4,9H,5-8,10H2,1H3
InChIKeyFXEKIJPNMOBASJ-UHFFFAOYSA-N
XLogP2.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[(1-methoxycyclopropyl)methyl]phenyl]ethanone
CID 117112075
1-[3-[(4-fluorooxan-4-yl)methyl]phenyl]ethanamine
CID 84727496
1-[3-(4-hydroxyoxan-4-yl)phenyl]ethanone
CID 105475536
2-[3-[(1-fluorocyclopropyl)methyl]phenyl]acetic acid
CID 84722633
1-[4-[(1-fluorocyclohexyl)methyl]phenyl]ethanone
CID 84726990
1-(3-acetylphenyl)propan-2-one
CID 12950417
1-[3-(sulfanylmethyl)phenyl]ethanone
CID 56991195
3-[(1-fluorocyclobutyl)methyl]phenol
CID 84718365
4,4-difluoro-3-[(3-hydroxyphenyl)methyl]oxane-3-carboxylic acid
CID 84809806
3-[[(4-methyloxan-4-yl)amino]methyl]benzoic acid
CID 103264154
3-[3-[(1-fluorocyclopropyl)methyl]phenyl]propanoic acid
CID 84725018
2-[3-[(1-fluorocyclobutyl)methyl]phenyl]acetic acid
CID 84725013

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-fluorooxan-4-yl)methyl]phenyl]ethanone?
The IUPAC name of 1-[3-[(4-fluorooxan-4-yl)methyl]phenyl]ethanone (CID 84727295) is 1-[3-[(4-fluorooxan-4-yl)methyl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[(4-fluorooxan-4-yl)methyl]phenyl]ethanone?
The canonical SMILES for 1-[3-[(4-fluorooxan-4-yl)methyl]phenyl]ethanone is CC(=O)c1cccc(CC2(F)CCOCC2)c1.
What is the InChIKey of 1-[3-[(4-fluorooxan-4-yl)methyl]phenyl]ethanone?
The InChIKey is FXEKIJPNMOBASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO2/c1-11(16)13-4-2-3-12(9-13)10-14(15)5-7-17-8-6-14/h2-4,9H,5-8,10H2,1H3.
What are the key properties of 1-[3-[(4-fluorooxan-4-yl)methyl]phenyl]ethanone?
1-[3-[(4-fluorooxan-4-yl)methyl]phenyl]ethanone has a molecular weight of 236.29 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-fluorooxan-4-yl)methyl]phenyl]ethanone is sourced from PubChem (CID 84727295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).