6-(4-fluorophenoxy)hexan-2-one

C12H15FO2 — CID 43793627

IUPAC6-(4-fluorophenoxy)hexan-2-one
SMILESCC(=O)CCCCOc1ccc(F)cc1
InChIInChI=1S/C12H15FO2/c1-10(14)4-2-3-9-15-12-7-5-11(13)6-8-12/h5-8H,2-4,9H2,1H3
InChIKeySQDVLRUUVQBYQF-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.96
Rot. Bonds6

About 6-(4-fluorophenoxy)hexan-2-one

6-(4-fluorophenoxy)hexan-2-one (PubChem CID 43793627) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is 6-(4-fluorophenoxy)hexan-2-one.

Molecular Properties

Compound Name6-(4-fluorophenoxy)hexan-2-one
PubChem CID43793627
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name6-(4-fluorophenoxy)hexan-2-one
SMILESCC(=O)CCCCOc1ccc(F)cc1
InChIInChI=1S/C12H15FO2/c1-10(14)4-2-3-9-15-12-7-5-11(13)6-8-12/h5-8H,2-4,9H2,1H3
InChIKeySQDVLRUUVQBYQF-UHFFFAOYSA-N
XLogP2.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

9-(4-fluorophenoxy)nonanoic acid
CID 66875133
6-[4-(4-bromophenyl)phenoxy]hexan-2-one
CID 62033076
4-(4-fluorophenoxy)butanamide
CID 43244704
5-(4-methylsulfanylphenoxy)pentan-2-one
CID 63648202
6-(4-aminophenoxy)hexan-2-one;ethane;methanamine;propane
CID 144743016
6-(4-butylphenoxy)hexan-2-one
CID 115492852
5-[4-(trifluoromethoxy)phenoxy]pentan-2-one
CID 113497431
16-[4-(2-(18F)fluoroethoxy)phenyl]hexadecan-2-one
CID 87414721
5-(4-fluorophenoxy)-2-oxopentanoic acid
CID 57302572
3-(4-fluorophenoxy)propyl carbamate
CID 154235028
methyl 4-(4-oxopentoxy)benzoate
CID 67943009
4-oxopentyl 2-(4-fluorophenoxy)-2-methylpropanoate
CID 78846639

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenoxy)hexan-2-one?
The IUPAC name of 6-(4-fluorophenoxy)hexan-2-one (CID 43793627) is 6-(4-fluorophenoxy)hexan-2-one.
What is the SMILES notation for 6-(4-fluorophenoxy)hexan-2-one?
The canonical SMILES for 6-(4-fluorophenoxy)hexan-2-one is CC(=O)CCCCOc1ccc(F)cc1.
What is the InChIKey of 6-(4-fluorophenoxy)hexan-2-one?
The InChIKey is SQDVLRUUVQBYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2/c1-10(14)4-2-3-9-15-12-7-5-11(13)6-8-12/h5-8H,2-4,9H2,1H3.
What are the key properties of 6-(4-fluorophenoxy)hexan-2-one?
6-(4-fluorophenoxy)hexan-2-one has a molecular weight of 210.25 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenoxy)hexan-2-one is sourced from PubChem (CID 43793627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).