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

fluoromethane;1-fluoro-2-methyl-4-propan-2-yl-5-(trifluoromethyl)benzene
CID 177009893
1-fluoro-2-methyl-4-nitro-5-(trifluoromethyl)benzene
CID 134615299
1-bromo-2,5-difluoro-4-(trifluoromethyl)benzene
CID 22566588
1-tert-butyl-4-fluoro-2,5-dimethylbenzene
CID 58173964
2-amino-2-(2,5-difluoro-4-methylphenyl)propanenitrile
CID 130059435
(2R)-2-amino-2-(2,5-difluoro-4-methylphenyl)propanenitrile
CID 130714816
1-chloro-2-(1,1-difluoroethyl)-4-fluoro-5-methylbenzene
CID 116841620
[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]methylidenehydrazine
CID 168530349
(3-fluoro-4-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287290
4-[chloro-(4-fluoro-3-methylphenyl)methyl]-1-fluoro-2-(trifluoromethyl)benzene
CID 79721901
N-[2,5-difluoro-4-(trifluoromethyl)phenyl]acetamide
CID 14148742
1,2-difluoro-4-methyl-5-[2-(trifluoromethyl)phenyl]benzene
CID 158879468

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).