1-(4-fluoro-2-methylphenyl)hexan-1-one

C13H17FO — CID 71197787

IUPAC1-(4-fluoro-2-methylphenyl)hexan-1-one
SMILESCCCCCC(=O)c1ccc(F)cc1C
InChIInChI=1S/C13H17FO/c1-3-4-5-6-13(15)12-8-7-11(14)9-10(12)2/h7-9H,3-6H2,1-2H3
InChIKeyRPMZUZAURQYTHB-UHFFFAOYSA-N
MW208.28 g/mol
LogP3.90
Rot. Bonds5

About 1-(4-fluoro-2-methylphenyl)hexan-1-one

1-(4-fluoro-2-methylphenyl)hexan-1-one (PubChem CID 71197787) has the molecular formula C13H17FO and a molecular weight of 208.28 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)hexan-1-one.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)hexan-1-one
PubChem CID71197787
Molecular FormulaC13H17FO
Molecular Weight208.28 g/mol
Exact Mass208.13
IUPAC Name1-(4-fluoro-2-methylphenyl)hexan-1-one
SMILESCCCCCC(=O)c1ccc(F)cc1C
InChIInChI=1S/C13H17FO/c1-3-4-5-6-13(15)12-8-7-11(14)9-10(12)2/h7-9H,3-6H2,1-2H3
InChIKeyRPMZUZAURQYTHB-UHFFFAOYSA-N
XLogP3.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-difluorophenyl)dodecan-1-one
CID 65448734
1-(5-fluoro-2-methylphenyl)pentan-1-one
CID 62622324
1-(4-fluoro-2-methylphenyl)-4-(methylamino)butan-1-one
CID 116555760
1-(2,5-difluorophenyl)dodecan-1-one
CID 65448171
1-(5-fluoro-2-hydroxyphenyl)octan-1-one
CID 86007473
1-(2-chloro-5-fluorophenyl)octan-1-one
CID 105396697
4,4,4-trifluoro-1-(4-fluoro-2-methylphenyl)butan-1-one
CID 79954422
1-(5-fluoro-2-methoxyphenyl)hexan-1-one
CID 43161521
1-(2-fluoro-4-methylphenyl)octan-1-one
CID 114966540
4-amino-1-(4-fluoro-2-methylphenyl)-4-methylpentan-1-one
CID 116571504
1-(2,4,5-trimethylphenyl)nonan-1-one
CID 112698850
1-(2-methylphenyl)undecan-1-one
CID 63409592

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)hexan-1-one?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)hexan-1-one (CID 71197787) is 1-(4-fluoro-2-methylphenyl)hexan-1-one.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)hexan-1-one?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)hexan-1-one is CCCCCC(=O)c1ccc(F)cc1C.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)hexan-1-one?
The InChIKey is RPMZUZAURQYTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO/c1-3-4-5-6-13(15)12-8-7-11(14)9-10(12)2/h7-9H,3-6H2,1-2H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)hexan-1-one?
1-(4-fluoro-2-methylphenyl)hexan-1-one has a molecular weight of 208.28 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)hexan-1-one is sourced from PubChem (CID 71197787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).