1-fluoro-4-methylbenzene;methylcyclobutane;toluene

C19H25F — CID 145168505

IUPAC1-fluoro-4-methylbenzene;methylcyclobutane;toluene
SMILESCC1CCC1.Cc1ccc(F)cc1.Cc1ccccc1
InChIInChI=1S/C7H7F.C7H8.C5H10/c1-6-2-4-7(8)5-3-6;1-7-5-3-2-4-6-7;1-5-3-2-4-5/h2-5H,1H3;2-6H,1H3;5H,2-4H2,1H3
InChIKeyAJVZGDUXMVRFIT-UHFFFAOYSA-N
MW272.41 g/mol
LogP5.94
Rot. Bonds

About 1-fluoro-4-methylbenzene;methylcyclobutane;toluene

1-fluoro-4-methylbenzene;methylcyclobutane;toluene (PubChem CID 145168505) has the molecular formula C19H25F and a molecular weight of 272.41 g/mol. Its IUPAC name is 1-fluoro-4-methylbenzene;methylcyclobutane;toluene.

Molecular Properties

Compound Name1-fluoro-4-methylbenzene;methylcyclobutane;toluene
PubChem CID145168505
Molecular FormulaC19H25F
Molecular Weight272.41 g/mol
Exact Mass272.19
IUPAC Name1-fluoro-4-methylbenzene;methylcyclobutane;toluene
SMILESCC1CCC1.Cc1ccc(F)cc1.Cc1ccccc1
InChIInChI=1S/C7H7F.C7H8.C5H10/c1-6-2-4-7(8)5-3-6;1-7-5-3-2-4-6-7;1-5-3-2-4-5/h2-5H,1H3;2-6H,1H3;5H,2-4H2,1H3
InChIKeyAJVZGDUXMVRFIT-UHFFFAOYSA-N
XLogP5.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.41
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1-fluoro-4-methylbenzene;methane
CID 158431518
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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-methylbenzene;methylcyclobutane;toluene?
The IUPAC name of 1-fluoro-4-methylbenzene;methylcyclobutane;toluene (CID 145168505) is 1-fluoro-4-methylbenzene;methylcyclobutane;toluene.
What is the SMILES notation for 1-fluoro-4-methylbenzene;methylcyclobutane;toluene?
The canonical SMILES for 1-fluoro-4-methylbenzene;methylcyclobutane;toluene is CC1CCC1.Cc1ccc(F)cc1.Cc1ccccc1.
What is the InChIKey of 1-fluoro-4-methylbenzene;methylcyclobutane;toluene?
The InChIKey is AJVZGDUXMVRFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F.C7H8.C5H10/c1-6-2-4-7(8)5-3-6;1-7-5-3-2-4-6-7;1-5-3-2-4-5/h2-5H,1H3;2-6H,1H3;5H,2-4H2,1H3.
What are the key properties of 1-fluoro-4-methylbenzene;methylcyclobutane;toluene?
1-fluoro-4-methylbenzene;methylcyclobutane;toluene has a molecular weight of 272.41 g/mol, XLogP of 5.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-methylbenzene;methylcyclobutane;toluene is sourced from PubChem (CID 145168505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).