1-(5-fluoro-2-methylphenyl)heptan-4-one

C14H19FO — CID 105375483

IUPAC1-(5-fluoro-2-methylphenyl)heptan-4-one
SMILESCCCC(=O)CCCc1cc(F)ccc1C
InChIInChI=1S/C14H19FO/c1-3-5-14(16)7-4-6-12-10-13(15)9-8-11(12)2/h8-10H,3-7H2,1-2H3
InChIKeyWAEHDJTUZVWMDE-UHFFFAOYSA-N
MW222.30 g/mol
LogP3.83
Rot. Bonds6

About 1-(5-fluoro-2-methylphenyl)heptan-4-one

1-(5-fluoro-2-methylphenyl)heptan-4-one (PubChem CID 105375483) has the molecular formula C14H19FO and a molecular weight of 222.30 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)heptan-4-one.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)heptan-4-one
PubChem CID105375483
Molecular FormulaC14H19FO
Molecular Weight222.30 g/mol
Exact Mass222.14
IUPAC Name1-(5-fluoro-2-methylphenyl)heptan-4-one
SMILESCCCC(=O)CCCc1cc(F)ccc1C
InChIInChI=1S/C14H19FO/c1-3-5-14(16)7-4-6-12-10-13(15)9-8-11(12)2/h8-10H,3-7H2,1-2H3
InChIKeyWAEHDJTUZVWMDE-UHFFFAOYSA-N
XLogP3.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-fluoro-2-methylphenyl)-5-hydroxypentan-2-one
CID 106677668
6-(2,5-dimethylphenyl)hexan-3-one
CID 64522526
1-(5-fluoro-2-methylphenyl)-5-(methylamino)pentan-2-one
CID 105376531
1-(2-chloro-4-methylphenyl)heptan-4-one
CID 106870128
4-(ethylamino)-1-(5-fluoro-2-methylphenyl)butan-2-one
CID 105376564
1-bromo-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 130882304
1-(5-chloro-2-methoxy-4-methylphenyl)heptan-4-one
CID 83937509
3-(5-fluoro-2-methylphenyl)propanal
CID 64522520
4-fluoro-2-methyl-1-pentylbenzene
CID 57094925
1-(4-bromophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373145
2-(4-fluoro-2-methylphenyl)acetic acid
CID 5016950
1-(5-fluoro-2-methylphenyl)pentan-1-one
CID 62622324

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)heptan-4-one?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)heptan-4-one (CID 105375483) is 1-(5-fluoro-2-methylphenyl)heptan-4-one.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)heptan-4-one?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)heptan-4-one is CCCC(=O)CCCc1cc(F)ccc1C.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)heptan-4-one?
The InChIKey is WAEHDJTUZVWMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO/c1-3-5-14(16)7-4-6-12-10-13(15)9-8-11(12)2/h8-10H,3-7H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)heptan-4-one?
1-(5-fluoro-2-methylphenyl)heptan-4-one has a molecular weight of 222.30 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)heptan-4-one is sourced from PubChem (CID 105375483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).