1-fluoro-2,3-dimethyl-5-(4-propylphenyl)benzene

C17H19F — CID 143260820

IUPAC1-fluoro-2,3-dimethyl-5-(4-propylphenyl)benzene
SMILESCCCc1ccc(-c2cc(C)c(C)c(F)c2)cc1
InChIInChI=1S/C17H19F/c1-4-5-14-6-8-15(9-7-14)16-10-12(2)13(3)17(18)11-16/h6-11H,4-5H2,1-3H3
InChIKeyOWFORKWMIAIQJJ-UHFFFAOYSA-N
MW242.34 g/mol
LogP5.06
Rot. Bonds3

About 1-fluoro-2,3-dimethyl-5-(4-propylphenyl)benzene

1-fluoro-2,3-dimethyl-5-(4-propylphenyl)benzene (PubChem CID 143260820) has the molecular formula C17H19F and a molecular weight of 242.34 g/mol. Its IUPAC name is 1-fluoro-2,3-dimethyl-5-(4-propylphenyl)benzene.

Molecular Properties

Compound Name1-fluoro-2,3-dimethyl-5-(4-propylphenyl)benzene
PubChem CID143260820
Molecular FormulaC17H19F
Molecular Weight242.34 g/mol
Exact Mass242.15
IUPAC Name1-fluoro-2,3-dimethyl-5-(4-propylphenyl)benzene
SMILESCCCc1ccc(-c2cc(C)c(C)c(F)c2)cc1
InChIInChI=1S/C17H19F/c1-4-5-14-6-8-15(9-7-14)16-10-12(2)13(3)17(18)11-16/h6-11H,4-5H2,1-3H3
InChIKeyOWFORKWMIAIQJJ-UHFFFAOYSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.34
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-fluoro-1-methyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 59933450
1,3-difluoro-5-(4-propylphenyl)-2-(3,4,5-trifluorophenyl)benzene
CID 86196386
1,3,4-trifluoro-2-methyl-5-(4-propylphenyl)benzene
CID 54541075
1,2,3-trimethyl-5-[4-(4-pentylphenyl)phenyl]benzene
CID 20683488
2,6-difluoro-4-(4-propylphenyl)benzaldehyde
CID 22561373
2-[(3,5-difluoro-4-methylphenyl)-difluoromethoxy]-1,3-difluoro-5-(4-propylphenyl)benzene
CID 118360414
5-(4-butylphenyl)-1,2,3-trimethylbenzene;1,2,3-trimethyl-5-(4-methylphenyl)benzene
CID 123525703
1-bromo-2-fluoro-4-(4-propylphenyl)benzene
CID 19917644
2-[chloro(difluoro)methyl]-1,3-difluoro-5-(4-propylphenyl)benzene
CID 20654125
1-methyl-4-(4-propylphenyl)benzene
CID 157416879
2-[2-[4-(4-butylphenyl)-2-fluorophenyl]ethynyl]-1-fluoro-3-methyl-5-(4-propylphenyl)benzene
CID 134371219
[2-fluoro-4-[4-(4-propylphenyl)phenyl]phenyl]-trimethylsilane
CID 11002971

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2,3-dimethyl-5-(4-propylphenyl)benzene?
The IUPAC name of 1-fluoro-2,3-dimethyl-5-(4-propylphenyl)benzene (CID 143260820) is 1-fluoro-2,3-dimethyl-5-(4-propylphenyl)benzene.
What is the SMILES notation for 1-fluoro-2,3-dimethyl-5-(4-propylphenyl)benzene?
The canonical SMILES for 1-fluoro-2,3-dimethyl-5-(4-propylphenyl)benzene is CCCc1ccc(-c2cc(C)c(C)c(F)c2)cc1.
What is the InChIKey of 1-fluoro-2,3-dimethyl-5-(4-propylphenyl)benzene?
The InChIKey is OWFORKWMIAIQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F/c1-4-5-14-6-8-15(9-7-14)16-10-12(2)13(3)17(18)11-16/h6-11H,4-5H2,1-3H3.
What are the key properties of 1-fluoro-2,3-dimethyl-5-(4-propylphenyl)benzene?
1-fluoro-2,3-dimethyl-5-(4-propylphenyl)benzene has a molecular weight of 242.34 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2,3-dimethyl-5-(4-propylphenyl)benzene is sourced from PubChem (CID 143260820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).