4-[(2-fluorophenyl)methoxymethyl]cyclohexan-1-one

C14H17FO2 — CID 58923599

IUPAC4-[(2-fluorophenyl)methoxymethyl]cyclohexan-1-one
SMILESO=C1CCC(COCc2ccccc2F)CC1
InChIInChI=1S/C14H17FO2/c15-14-4-2-1-3-12(14)10-17-9-11-5-7-13(16)8-6-11/h1-4,11H,5-10H2
InChIKeyMZDNMTBWFBYTSY-UHFFFAOYSA-N
MW236.29 g/mol
LogP3.10
Rot. Bonds4

About 4-[(2-fluorophenyl)methoxymethyl]cyclohexan-1-one

4-[(2-fluorophenyl)methoxymethyl]cyclohexan-1-one (PubChem CID 58923599) has the molecular formula C14H17FO2 and a molecular weight of 236.29 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methoxymethyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methoxymethyl]cyclohexan-1-one
PubChem CID58923599
Molecular FormulaC14H17FO2
Molecular Weight236.29 g/mol
Exact Mass236.12
IUPAC Name4-[(2-fluorophenyl)methoxymethyl]cyclohexan-1-one
SMILESO=C1CCC(COCc2ccccc2F)CC1
InChIInChI=1S/C14H17FO2/c15-14-4-2-1-3-12(14)10-17-9-11-5-7-13(16)8-6-11/h1-4,11H,5-10H2
InChIKeyMZDNMTBWFBYTSY-UHFFFAOYSA-N
XLogP3.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methoxymethyl]cyclohexan-1-one?
The IUPAC name of 4-[(2-fluorophenyl)methoxymethyl]cyclohexan-1-one (CID 58923599) is 4-[(2-fluorophenyl)methoxymethyl]cyclohexan-1-one.
What is the SMILES notation for 4-[(2-fluorophenyl)methoxymethyl]cyclohexan-1-one?
The canonical SMILES for 4-[(2-fluorophenyl)methoxymethyl]cyclohexan-1-one is O=C1CCC(COCc2ccccc2F)CC1.
What is the InChIKey of 4-[(2-fluorophenyl)methoxymethyl]cyclohexan-1-one?
The InChIKey is MZDNMTBWFBYTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO2/c15-14-4-2-1-3-12(14)10-17-9-11-5-7-13(16)8-6-11/h1-4,11H,5-10H2.
What are the key properties of 4-[(2-fluorophenyl)methoxymethyl]cyclohexan-1-one?
4-[(2-fluorophenyl)methoxymethyl]cyclohexan-1-one has a molecular weight of 236.29 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methoxymethyl]cyclohexan-1-one is sourced from PubChem (CID 58923599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).