1,4-difluoro-2-methyl-5-(4-methylphenyl)benzene

C14H12F2 — CID 23542780

IUPAC1,4-difluoro-2-methyl-5-(4-methylphenyl)benzene
SMILESCc1ccc(-c2cc(F)c(C)cc2F)cc1
InChIInChI=1S/C14H12F2/c1-9-3-5-11(6-4-9)12-8-13(15)10(2)7-14(12)16/h3-8H,1-2H3
InChIKeyHAQLJPLRGNTFCR-UHFFFAOYSA-N
MW218.25 g/mol
LogP4.25
Rot. Bonds1

About 1,4-difluoro-2-methyl-5-(4-methylphenyl)benzene

1,4-difluoro-2-methyl-5-(4-methylphenyl)benzene (PubChem CID 23542780) has the molecular formula C14H12F2 and a molecular weight of 218.25 g/mol. Its IUPAC name is 1,4-difluoro-2-methyl-5-(4-methylphenyl)benzene.

Molecular Properties

Compound Name1,4-difluoro-2-methyl-5-(4-methylphenyl)benzene
PubChem CID23542780
Molecular FormulaC14H12F2
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name1,4-difluoro-2-methyl-5-(4-methylphenyl)benzene
SMILESCc1ccc(-c2cc(F)c(C)cc2F)cc1
InChIInChI=1S/C14H12F2/c1-9-3-5-11(6-4-9)12-8-13(15)10(2)7-14(12)16/h3-8H,1-2H3
InChIKeyHAQLJPLRGNTFCR-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

11,31,45,55-tetrafluoroundecacyclo[36.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37]hexaconta-1(40),2(60),3,5(59),6(58),7,9(57),10(56),11,13(55),14(54),15,17(53),18(52),19,21(51),22,24,26,28,30,32,34,36,38,41,43,45,47,49-triacontaene
CID 140924255
2-fluoro-1-(2-fluoro-4-methylphenyl)-4-methylbenzene;2-fluoro-1-methyl-4-(4-methylphenyl)benzene;2-fluoro-4-methyl-1-(4-methylphenyl)benzene
CID 144612336
1-bromo-2-fluoro-5-methyl-4-(4-methylphenyl)benzene
CID 164894591
1-[4-[2-[2-ethyl-6-fluoro-4-[4-(4-methylphenyl)phenyl]phenyl]ethynyl]phenyl]-2,5-difluoro-4-methylbenzene
CID 134376168
2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 22899602
5-fluoro-4-methyl-2-(4-methylphenyl)benzoic acid
CID 172914061
3-(2,5-difluoro-4-methylphenyl)pyridine
CID 143759776
2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-methylphenyl)benzene;methane
CID 161341950
2-fluoro-1-(4-iodophenyl)-4-(4-methylphenyl)benzene
CID 130468833
[2-chloro-5-(2,5-difluoro-4-methylphenyl)phenyl]methanamine
CID 114077096
3-(2,4-difluoro-5-methylphenyl)-5-methylaniline
CID 107579819
2,3-difluoro-1-[2-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]-4-methylbenzene
CID 58756075

Frequently Asked Questions

What is the IUPAC name of 1,4-difluoro-2-methyl-5-(4-methylphenyl)benzene?
The IUPAC name of 1,4-difluoro-2-methyl-5-(4-methylphenyl)benzene (CID 23542780) is 1,4-difluoro-2-methyl-5-(4-methylphenyl)benzene.
What is the SMILES notation for 1,4-difluoro-2-methyl-5-(4-methylphenyl)benzene?
The canonical SMILES for 1,4-difluoro-2-methyl-5-(4-methylphenyl)benzene is Cc1ccc(-c2cc(F)c(C)cc2F)cc1.
What is the InChIKey of 1,4-difluoro-2-methyl-5-(4-methylphenyl)benzene?
The InChIKey is HAQLJPLRGNTFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2/c1-9-3-5-11(6-4-9)12-8-13(15)10(2)7-14(12)16/h3-8H,1-2H3.
What are the key properties of 1,4-difluoro-2-methyl-5-(4-methylphenyl)benzene?
1,4-difluoro-2-methyl-5-(4-methylphenyl)benzene has a molecular weight of 218.25 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-difluoro-2-methyl-5-(4-methylphenyl)benzene is sourced from PubChem (CID 23542780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).