2-fluoro-1,3-dimethyl-4-(4-propan-2-ylphenyl)benzene

C17H19F — CID 58689096

IUPAC2-fluoro-1,3-dimethyl-4-(4-propan-2-ylphenyl)benzene
SMILESCc1ccc(-c2ccc(C(C)C)cc2)c(C)c1F
InChIInChI=1S/C17H19F/c1-11(2)14-6-8-15(9-7-14)16-10-5-12(3)17(18)13(16)4/h5-11H,1-4H3
InChIKeyHGMRQSZKYRORQQ-UHFFFAOYSA-N
MW242.34 g/mol
LogP5.23
Rot. Bonds2

About 2-fluoro-1,3-dimethyl-4-(4-propan-2-ylphenyl)benzene

2-fluoro-1,3-dimethyl-4-(4-propan-2-ylphenyl)benzene (PubChem CID 58689096) has the molecular formula C17H19F and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-fluoro-1,3-dimethyl-4-(4-propan-2-ylphenyl)benzene.

Molecular Properties

Compound Name2-fluoro-1,3-dimethyl-4-(4-propan-2-ylphenyl)benzene
PubChem CID58689096
Molecular FormulaC17H19F
Molecular Weight242.34 g/mol
Exact Mass242.15
IUPAC Name2-fluoro-1,3-dimethyl-4-(4-propan-2-ylphenyl)benzene
SMILESCc1ccc(-c2ccc(C(C)C)cc2)c(C)c1F
InChIInChI=1S/C17H19F/c1-11(2)14-6-8-15(9-7-14)16-10-5-12(3)17(18)13(16)4/h5-11H,1-4H3
InChIKeyHGMRQSZKYRORQQ-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.34
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(4-fluorophenyl)-2,4-dimethyl-3-propan-2-ylbenzene
CID 54376936
4-chloro-2-methyl-1-(4-propan-2-ylphenyl)benzene
CID 71243768
5-fluoro-2-(4-propan-2-ylphenyl)phenol
CID 83131035
1-methyl-2-methylsulfanyl-3-(4-propan-2-ylphenyl)benzene
CID 144815808
2,4-di(propan-2-yl)-1-(4-propan-2-ylphenyl)benzene
CID 22103899
4-(2-methyl-5-propan-2-ylphenyl)phenol
CID 151746189
2,5-bis(4-propan-2-ylphenyl)benzene-1,4-diol
CID 121300355
1,4-dimethyl-6-propan-2-ylazulene
CID 19861187
tris(1-methyl-4-propan-2-ylbenzene);dihydrochloride
CID 175503400
4-methyl-3-(4-propan-2-ylphenyl)benzoic acid
CID 67519519
1-(4-fluorophenyl)-5-propan-2-ylazulene
CID 19815703
2-[chloro-(4-propan-2-ylphenyl)methyl]-1,3-difluoro-4-methylbenzene
CID 82815966

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,3-dimethyl-4-(4-propan-2-ylphenyl)benzene?
The IUPAC name of 2-fluoro-1,3-dimethyl-4-(4-propan-2-ylphenyl)benzene (CID 58689096) is 2-fluoro-1,3-dimethyl-4-(4-propan-2-ylphenyl)benzene.
What is the SMILES notation for 2-fluoro-1,3-dimethyl-4-(4-propan-2-ylphenyl)benzene?
The canonical SMILES for 2-fluoro-1,3-dimethyl-4-(4-propan-2-ylphenyl)benzene is Cc1ccc(-c2ccc(C(C)C)cc2)c(C)c1F.
What is the InChIKey of 2-fluoro-1,3-dimethyl-4-(4-propan-2-ylphenyl)benzene?
The InChIKey is HGMRQSZKYRORQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F/c1-11(2)14-6-8-15(9-7-14)16-10-5-12(3)17(18)13(16)4/h5-11H,1-4H3.
What are the key properties of 2-fluoro-1,3-dimethyl-4-(4-propan-2-ylphenyl)benzene?
2-fluoro-1,3-dimethyl-4-(4-propan-2-ylphenyl)benzene has a molecular weight of 242.34 g/mol, XLogP of 5.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,3-dimethyl-4-(4-propan-2-ylphenyl)benzene is sourced from PubChem (CID 58689096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).