2-butyl-4-(2-fluorophenyl)-1-methylbenzene

C17H19F — CID 146534667

IUPAC2-butyl-4-(2-fluorophenyl)-1-methylbenzene
SMILESCCCCc1cc(-c2ccccc2F)ccc1C
InChIInChI=1S/C17H19F/c1-3-4-7-14-12-15(11-10-13(14)2)16-8-5-6-9-17(16)18/h5-6,8-12H,3-4,7H2,1-2H3
InChIKeyHRCYKZFGCGDVQY-UHFFFAOYSA-N
MW242.34 g/mol
LogP5.14
Rot. Bonds4

About 2-butyl-4-(2-fluorophenyl)-1-methylbenzene

2-butyl-4-(2-fluorophenyl)-1-methylbenzene (PubChem CID 146534667) has the molecular formula C17H19F and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-butyl-4-(2-fluorophenyl)-1-methylbenzene.

Molecular Properties

Compound Name2-butyl-4-(2-fluorophenyl)-1-methylbenzene
PubChem CID146534667
Molecular FormulaC17H19F
Molecular Weight242.34 g/mol
Exact Mass242.15
IUPAC Name2-butyl-4-(2-fluorophenyl)-1-methylbenzene
SMILESCCCCc1cc(-c2ccccc2F)ccc1C
InChIInChI=1S/C17H19F/c1-3-4-7-14-12-15(11-10-13(14)2)16-8-5-6-9-17(16)18/h5-6,8-12H,3-4,7H2,1-2H3
InChIKeyHRCYKZFGCGDVQY-UHFFFAOYSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.34
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-fluoro-4-(2-fluorophenyl)-1-(3-methoxypropyl)benzene
CID 59931454
4-[3-fluoro-4-(3-heptyl-4-hydroxyphenyl)phenyl]-2-heptylphenol
CID 135247842
2-(3-butyl-4-fluorophenyl)-3-methylpyridine
CID 140726876
methyl (E)-2-[[5-(2-fluorophenyl)-2-methylphenyl]methyl]-3-methoxyprop-2-enoate
CID 156812669
2-[3-(2-aminoethyl)-4-methylphenyl]phenol
CID 115036227
1-butyl-2-(4-methylphenyl)benzene
CID 58626581
2-fluoro-4-(2-fluorophenyl)-1-propoxybenzene
CID 174492898
1-butyl-2-methylbenzene;ethane;propane
CID 142102479
1-methyl-2-pentylbenzene
CID 524553
2-(2-butylphenyl)naphthalene
CID 58626566
1-butyl-2-(3-methylphenyl)benzene
CID 174352877
2-(4-butylphenyl)-4-fluoro-1-(2-fluorophenyl)benzene
CID 67866294

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-(2-fluorophenyl)-1-methylbenzene?
The IUPAC name of 2-butyl-4-(2-fluorophenyl)-1-methylbenzene (CID 146534667) is 2-butyl-4-(2-fluorophenyl)-1-methylbenzene.
What is the SMILES notation for 2-butyl-4-(2-fluorophenyl)-1-methylbenzene?
The canonical SMILES for 2-butyl-4-(2-fluorophenyl)-1-methylbenzene is CCCCc1cc(-c2ccccc2F)ccc1C.
What is the InChIKey of 2-butyl-4-(2-fluorophenyl)-1-methylbenzene?
The InChIKey is HRCYKZFGCGDVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F/c1-3-4-7-14-12-15(11-10-13(14)2)16-8-5-6-9-17(16)18/h5-6,8-12H,3-4,7H2,1-2H3.
What are the key properties of 2-butyl-4-(2-fluorophenyl)-1-methylbenzene?
2-butyl-4-(2-fluorophenyl)-1-methylbenzene has a molecular weight of 242.34 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-(2-fluorophenyl)-1-methylbenzene is sourced from PubChem (CID 146534667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).