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

C8H5F5 — CID 51000124

IUPAC1,4-difluoro-2-methyl-5-(trifluoromethyl)benzene
SMILESCc1cc(F)c(C(F)(F)F)cc1F
InChIInChI=1S/C8H5F5/c1-4-2-7(10)5(3-6(4)9)8(11,12)13/h2-3H,1H3
InChIKeyRSZRFFOQSRYXIK-UHFFFAOYSA-N
MW196.12 g/mol
LogP3.29
Rot. Bonds

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

1,4-difluoro-2-methyl-5-(trifluoromethyl)benzene (PubChem CID 51000124) has the molecular formula C8H5F5 and a molecular weight of 196.12 g/mol. Its IUPAC name is 1,4-difluoro-2-methyl-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,4-difluoro-2-methyl-5-(trifluoromethyl)benzene
PubChem CID51000124
Molecular FormulaC8H5F5
Molecular Weight196.12 g/mol
Exact Mass196.03
IUPAC Name1,4-difluoro-2-methyl-5-(trifluoromethyl)benzene
SMILESCc1cc(F)c(C(F)(F)F)cc1F
InChIInChI=1S/C8H5F5/c1-4-2-7(10)5(3-6(4)9)8(11,12)13/h2-3H,1H3
InChIKeyRSZRFFOQSRYXIK-UHFFFAOYSA-N
XLogP3.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.12
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

P-Xylene
CID 7809
1-Ethenyl-4-methylbenzene
CID 12161
(Trifluoromethyl)benzene
CID 7368
p-Fluorotoluene
CID 9603
m-Fluorotoluene
CID 9606
2-Fluorotoluene
CID 7241
p-Divinylbenzene
CID 66041
Benzene, (1,2,2-trifluoroethenyl)-
CID 67971
Benzene, 1,3-bis(trifluoromethyl)-
CID 223106
Benzene, 1-fluoro-4-(trifluoromethyl)-
CID 67873
alpha,alpha,alpha,3-Tetrafluorotoluene
CID 67867
Benzene, 1,3,5-tris(trifluoromethyl)-
CID 123085

Frequently Asked Questions

What is the IUPAC name of 1,4-difluoro-2-methyl-5-(trifluoromethyl)benzene?
The IUPAC name of 1,4-difluoro-2-methyl-5-(trifluoromethyl)benzene (CID 51000124) is 1,4-difluoro-2-methyl-5-(trifluoromethyl)benzene.
What is the SMILES notation for 1,4-difluoro-2-methyl-5-(trifluoromethyl)benzene?
The canonical SMILES for 1,4-difluoro-2-methyl-5-(trifluoromethyl)benzene is Cc1cc(F)c(C(F)(F)F)cc1F.
What is the InChIKey of 1,4-difluoro-2-methyl-5-(trifluoromethyl)benzene?
The InChIKey is RSZRFFOQSRYXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5/c1-4-2-7(10)5(3-6(4)9)8(11,12)13/h2-3H,1H3.
What are the key properties of 1,4-difluoro-2-methyl-5-(trifluoromethyl)benzene?
1,4-difluoro-2-methyl-5-(trifluoromethyl)benzene has a molecular weight of 196.12 g/mol, XLogP of 3.29, 0 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-(trifluoromethyl)benzene is sourced from PubChem (CID 51000124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).