butan-2-one;2-ethyl-4-(fluoromethyl)-1-methylbenzene

C14H21FO — CID 143248151

IUPACbutan-2-one;2-ethyl-4-(fluoromethyl)-1-methylbenzene
SMILESCCC(C)=O.CCc1cc(CF)ccc1C
InChIInChI=1S/C10H13F.C4H8O/c1-3-10-6-9(7-11)5-4-8(10)2;1-3-4(2)5/h4-6H,3,7H2,1-2H3;3H2,1-2H3
InChIKeyZOOIFJMRLSTLFG-UHFFFAOYSA-N
MW224.32 g/mol
LogP4.01
Rot. Bonds3

About butan-2-one;2-ethyl-4-(fluoromethyl)-1-methylbenzene

butan-2-one;2-ethyl-4-(fluoromethyl)-1-methylbenzene (PubChem CID 143248151) has the molecular formula C14H21FO and a molecular weight of 224.32 g/mol. Its IUPAC name is butan-2-one;2-ethyl-4-(fluoromethyl)-1-methylbenzene.

Molecular Properties

Compound Namebutan-2-one;2-ethyl-4-(fluoromethyl)-1-methylbenzene
PubChem CID143248151
Molecular FormulaC14H21FO
Molecular Weight224.32 g/mol
Exact Mass224.16
IUPAC Namebutan-2-one;2-ethyl-4-(fluoromethyl)-1-methylbenzene
SMILESCCC(C)=O.CCc1cc(CF)ccc1C
InChIInChI=1S/C10H13F.C4H8O/c1-3-10-6-9(7-11)5-4-8(10)2;1-3-4(2)5/h4-6H,3,7H2,1-2H3;3H2,1-2H3
InChIKeyZOOIFJMRLSTLFG-UHFFFAOYSA-N
XLogP4.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[5-(fluoromethyl)-2-methylphenyl]methanol
CID 84649942
2-ethyl-4-[2-(3-ethyl-4-methylphenyl)ethyl]-1-methylbenzene
CID 123325932
4-[5-(fluoromethyl)-2-methylphenyl]butanoic acid
CID 117300398
3-(3-ethyl-4-methylphenyl)-2-methylpropanoic acid
CID 84674441
2-ethyl-4-[(E)-2-ethylbut-2-enyl]-1-methylbenzene
CID 144520544
1-[4-(fluoromethyl)phenyl]propan-2-one
CID 84652370
tert-butyl 3-[5-(fluoromethyl)-2-methylphenyl]propanoate
CID 58798437
1-(3,4-dimethylphenyl)ethanone;1-(3-ethyl-4-methylphenyl)ethanone
CID 159972126
(2S)-2-amino-3-[3-(fluoromethyl)-4-methylphenyl]propanoic acid
CID 144937817
butan-2-one;ethane;4-ethyl-1,2-dimethylbenzene;2-methylbutane
CID 142121166
O-[2-[5-(fluoromethyl)-2-methylphenyl]ethyl]hydroxylamine
CID 117279515
(Z)-4-(3-ethyl-4-methylphenyl)but-2-ene-1,3-diamine
CID 146290680

Frequently Asked Questions

What is the IUPAC name of butan-2-one;2-ethyl-4-(fluoromethyl)-1-methylbenzene?
The IUPAC name of butan-2-one;2-ethyl-4-(fluoromethyl)-1-methylbenzene (CID 143248151) is butan-2-one;2-ethyl-4-(fluoromethyl)-1-methylbenzene.
What is the SMILES notation for butan-2-one;2-ethyl-4-(fluoromethyl)-1-methylbenzene?
The canonical SMILES for butan-2-one;2-ethyl-4-(fluoromethyl)-1-methylbenzene is CCC(C)=O.CCc1cc(CF)ccc1C.
What is the InChIKey of butan-2-one;2-ethyl-4-(fluoromethyl)-1-methylbenzene?
The InChIKey is ZOOIFJMRLSTLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F.C4H8O/c1-3-10-6-9(7-11)5-4-8(10)2;1-3-4(2)5/h4-6H,3,7H2,1-2H3;3H2,1-2H3.
What are the key properties of butan-2-one;2-ethyl-4-(fluoromethyl)-1-methylbenzene?
butan-2-one;2-ethyl-4-(fluoromethyl)-1-methylbenzene has a molecular weight of 224.32 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-one;2-ethyl-4-(fluoromethyl)-1-methylbenzene is sourced from PubChem (CID 143248151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).