1,3-difluoro-2-methylbenzene;ethane;1,2-xylene

C19H28F2 — CID 142353819

IUPAC1,3-difluoro-2-methylbenzene;ethane;1,2-xylene
SMILESCC.CC.Cc1c(F)cccc1F.Cc1ccccc1C
InChIInChI=1S/C8H10.C7H6F2.2C2H6/c1-7-5-3-4-6-8(7)2;1-5-6(8)3-2-4-7(5)9;2*1-2/h3-6H,1-2H3;2-4H,1H3;2*1-2H3
InChIKeyIBYAVLNEQLPYNC-UHFFFAOYSA-N
MW294.43 g/mol
LogP6.63
Rot. Bonds

About 1,3-difluoro-2-methylbenzene;ethane;1,2-xylene

1,3-difluoro-2-methylbenzene;ethane;1,2-xylene (PubChem CID 142353819) has the molecular formula C19H28F2 and a molecular weight of 294.43 g/mol. Its IUPAC name is 1,3-difluoro-2-methylbenzene;ethane;1,2-xylene.

Molecular Properties

Compound Name1,3-difluoro-2-methylbenzene;ethane;1,2-xylene
PubChem CID142353819
Molecular FormulaC19H28F2
Molecular Weight294.43 g/mol
Exact Mass294.22
IUPAC Name1,3-difluoro-2-methylbenzene;ethane;1,2-xylene
SMILESCC.CC.Cc1c(F)cccc1F.Cc1ccccc1C
InChIInChI=1S/C8H10.C7H6F2.2C2H6/c1-7-5-3-4-6-8(7)2;1-5-6(8)3-2-4-7(5)9;2*1-2/h3-6H,1-2H3;2-4H,1H3;2*1-2H3
InChIKeyIBYAVLNEQLPYNC-UHFFFAOYSA-N
XLogP6.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.43
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-difluoro-2-methylbenzene;3-fluoro-4-methylpyridine;1,2-xylene
CID 160980861
ethane;1-fluoro-2-methylbenzene;methane
CID 143320188
1,3-difluoro-2-methylbenzene;2-methylpropane
CID 159186577
1-fluoro-2,3-dimethylbenzene;formonitrile
CID 144500110
acetylene;ethane;1-fluoro-2-methylbenzene
CID 145259299
ethane;1-fluoro-2-methylbenzene;propane
CID 143588585
ethane;methane;pentakis(1,2-xylene)
CID 158909718
ethane;1,2-xylene;dihydrochloride
CID 174677530
1,2-xylene
CID 173422016
acetylene;1-fluoro-2-methylbenzene
CID 175248306
1,2-difluoro-3-methylbenzene;vanadium
CID 170603843
ethane;2-fluoro-6-methylphenol
CID 162729094

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-methylbenzene;ethane;1,2-xylene?
The IUPAC name of 1,3-difluoro-2-methylbenzene;ethane;1,2-xylene (CID 142353819) is 1,3-difluoro-2-methylbenzene;ethane;1,2-xylene.
What is the SMILES notation for 1,3-difluoro-2-methylbenzene;ethane;1,2-xylene?
The canonical SMILES for 1,3-difluoro-2-methylbenzene;ethane;1,2-xylene is CC.CC.Cc1c(F)cccc1F.Cc1ccccc1C.
What is the InChIKey of 1,3-difluoro-2-methylbenzene;ethane;1,2-xylene?
The InChIKey is IBYAVLNEQLPYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C7H6F2.2C2H6/c1-7-5-3-4-6-8(7)2;1-5-6(8)3-2-4-7(5)9;2*1-2/h3-6H,1-2H3;2-4H,1H3;2*1-2H3.
What are the key properties of 1,3-difluoro-2-methylbenzene;ethane;1,2-xylene?
1,3-difluoro-2-methylbenzene;ethane;1,2-xylene has a molecular weight of 294.43 g/mol, XLogP of 6.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-methylbenzene;ethane;1,2-xylene is sourced from PubChem (CID 142353819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).