6-(2-fluoro-3-propoxyphenyl)hexan-2-one

C15H21FO2 — CID 157048825

IUPAC6-(2-fluoro-3-propoxyphenyl)hexan-2-one
SMILESCCCOc1cccc(CCCCC(C)=O)c1F
InChIInChI=1S/C15H21FO2/c1-3-11-18-14-10-6-9-13(15(14)16)8-5-4-7-12(2)17/h6,9-10H,3-5,7-8,11H2,1-2H3
InChIKeyIVPAQEBACVDLRY-UHFFFAOYSA-N
MW252.33 g/mol
LogP3.92
Rot. Bonds8

About 6-(2-fluoro-3-propoxyphenyl)hexan-2-one

6-(2-fluoro-3-propoxyphenyl)hexan-2-one (PubChem CID 157048825) has the molecular formula C15H21FO2 and a molecular weight of 252.33 g/mol. Its IUPAC name is 6-(2-fluoro-3-propoxyphenyl)hexan-2-one.

Molecular Properties

Compound Name6-(2-fluoro-3-propoxyphenyl)hexan-2-one
PubChem CID157048825
Molecular FormulaC15H21FO2
Molecular Weight252.33 g/mol
Exact Mass252.15
IUPAC Name6-(2-fluoro-3-propoxyphenyl)hexan-2-one
SMILESCCCOc1cccc(CCCCC(C)=O)c1F
InChIInChI=1S/C15H21FO2/c1-3-11-18-14-10-6-9-13(15(14)16)8-5-4-7-12(2)17/h6,9-10H,3-5,7-8,11H2,1-2H3
InChIKeyIVPAQEBACVDLRY-UHFFFAOYSA-N
XLogP3.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 53.92
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

ethane;5-(2-fluoro-3-propoxyphenyl)pentan-2-one
CID 155707331
2-fluoro-1-[2-(2-fluoro-3-octoxyphenyl)ethyl]-3-octoxybenzene
CID 139679650
4-(3-ethoxy-2-fluorophenyl)butyl 2-methylpropanoate
CID 158462804
ethane;6-(3-propoxyphenyl)hexan-2-one
CID 157048681
methyl 2-fluoro-3-propoxybenzoate
CID 146035428
6-(2-fluoro-3-methoxyphenyl)hexan-3-one
CID 104795064
ethane;4-[2-fluoro-3-(2-methylpropoxy)phenyl]butyl propanoate
CID 176933042
7-(2-fluoro-5-methyl-3-propoxyphenyl)-2-methylheptan-3-one
CID 166117840
6-(2-fluoro-3-methylphenoxy)hexanoic acid
CID 107655017
4-[2-fluoro-3-(methylsulfanylmethoxy)phenyl]butyl 2-methylpropanoate
CID 170202637
10-[2-(9-carboxynonyl)-3-hexoxyphenyl]decanoic acid
CID 151006342
7-[2-chloro-3-(2-methylpropoxy)phenyl]heptan-2-one
CID 155188411

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-3-propoxyphenyl)hexan-2-one?
The IUPAC name of 6-(2-fluoro-3-propoxyphenyl)hexan-2-one (CID 157048825) is 6-(2-fluoro-3-propoxyphenyl)hexan-2-one.
What is the SMILES notation for 6-(2-fluoro-3-propoxyphenyl)hexan-2-one?
The canonical SMILES for 6-(2-fluoro-3-propoxyphenyl)hexan-2-one is CCCOc1cccc(CCCCC(C)=O)c1F.
What is the InChIKey of 6-(2-fluoro-3-propoxyphenyl)hexan-2-one?
The InChIKey is IVPAQEBACVDLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO2/c1-3-11-18-14-10-6-9-13(15(14)16)8-5-4-7-12(2)17/h6,9-10H,3-5,7-8,11H2,1-2H3.
What are the key properties of 6-(2-fluoro-3-propoxyphenyl)hexan-2-one?
6-(2-fluoro-3-propoxyphenyl)hexan-2-one has a molecular weight of 252.33 g/mol, XLogP of 3.92, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-3-propoxyphenyl)hexan-2-one is sourced from PubChem (CID 157048825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).