1-[3-(1-fluorobutan-2-yloxy)-2-methylpropyl]-4-methylbenzene

C15H23FO — CID 170359359

IUPAC1-[3-(1-fluorobutan-2-yloxy)-2-methylpropyl]-4-methylbenzene
SMILESCCC(CF)OCC(C)Cc1ccc(C)cc1
InChIInChI=1S/C15H23FO/c1-4-15(10-16)17-11-13(3)9-14-7-5-12(2)6-8-14/h5-8,13,15H,4,9-11H2,1-3H3
InChIKeyAKFZQRLIIAYRPH-UHFFFAOYSA-N
MW238.35 g/mol
LogP3.94
Rot. Bonds7

About 1-[3-(1-fluorobutan-2-yloxy)-2-methylpropyl]-4-methylbenzene

1-[3-(1-fluorobutan-2-yloxy)-2-methylpropyl]-4-methylbenzene (PubChem CID 170359359) has the molecular formula C15H23FO and a molecular weight of 238.35 g/mol. Its IUPAC name is 1-[3-(1-fluorobutan-2-yloxy)-2-methylpropyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[3-(1-fluorobutan-2-yloxy)-2-methylpropyl]-4-methylbenzene
PubChem CID170359359
Molecular FormulaC15H23FO
Molecular Weight238.35 g/mol
Exact Mass238.17
IUPAC Name1-[3-(1-fluorobutan-2-yloxy)-2-methylpropyl]-4-methylbenzene
SMILESCCC(CF)OCC(C)Cc1ccc(C)cc1
InChIInChI=1S/C15H23FO/c1-4-15(10-16)17-11-13(3)9-14-7-5-12(2)6-8-14/h5-8,13,15H,4,9-11H2,1-3H3
InChIKeyAKFZQRLIIAYRPH-UHFFFAOYSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-4-[(2R)-2-methylbutyl]benzene
CID 59123946
1-(2,3-dimethylpentyl)-4-methylbenzene
CID 91405313
formaldehyde;1-methyl-4-(2-methylbutyl)benzene
CID 143236225
1-methyl-4-[4-[4-(2-methylbutyl)phenyl]phenoxy]benzene
CID 20641212
(2S)-1-(4-methylphenyl)butan-2-ol
CID 39236000
(2R)-1-(4-methylphenyl)butan-2-ol
CID 39235998
(2R)-2-methyl-3-(4-methylphenyl)propan-1-ol
CID 59708463
1-[2-[3-(4-chlorophenyl)-2-methylpropoxy]butyl]pyrrolidine-2,5-dione
CID 170360914
1,4-bis(2-methylbutyl)benzene;ethane
CID 145016411
2-methyl-1-pentan-3-yloxybutane
CID 23377308
1-(fluoromethyl)-4-[1-(4-methylphenyl)ethoxymethyl]benzene
CID 71092074
1-methyl-4-[2-(4-propan-2-ylphenyl)butyl]benzene
CID 91475154

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-fluorobutan-2-yloxy)-2-methylpropyl]-4-methylbenzene?
The IUPAC name of 1-[3-(1-fluorobutan-2-yloxy)-2-methylpropyl]-4-methylbenzene (CID 170359359) is 1-[3-(1-fluorobutan-2-yloxy)-2-methylpropyl]-4-methylbenzene.
What is the SMILES notation for 1-[3-(1-fluorobutan-2-yloxy)-2-methylpropyl]-4-methylbenzene?
The canonical SMILES for 1-[3-(1-fluorobutan-2-yloxy)-2-methylpropyl]-4-methylbenzene is CCC(CF)OCC(C)Cc1ccc(C)cc1.
What is the InChIKey of 1-[3-(1-fluorobutan-2-yloxy)-2-methylpropyl]-4-methylbenzene?
The InChIKey is AKFZQRLIIAYRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FO/c1-4-15(10-16)17-11-13(3)9-14-7-5-12(2)6-8-14/h5-8,13,15H,4,9-11H2,1-3H3.
What are the key properties of 1-[3-(1-fluorobutan-2-yloxy)-2-methylpropyl]-4-methylbenzene?
1-[3-(1-fluorobutan-2-yloxy)-2-methylpropyl]-4-methylbenzene has a molecular weight of 238.35 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-fluorobutan-2-yloxy)-2-methylpropyl]-4-methylbenzene is sourced from PubChem (CID 170359359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).