1,3-difluoro-2-methylbenzene;3-fluoro-4-methylpyridine;1,2-xylene

C21H22F3N — CID 160980861

IUPAC1,3-difluoro-2-methylbenzene;3-fluoro-4-methylpyridine;1,2-xylene
SMILESCc1c(F)cccc1F.Cc1ccccc1C.Cc1ccncc1F
InChIInChI=1S/C8H10.C7H6F2.C6H6FN/c1-7-5-3-4-6-8(7)2;1-5-6(8)3-2-4-7(5)9;1-5-2-3-8-4-6(5)7/h3-6H,1-2H3;2-4H,1H3;2-4H,1H3
InChIKeySZMMFRFSXDKWHM-UHFFFAOYSA-N
MW345.41 g/mol
LogP6.11
Rot. Bonds

About 1,3-difluoro-2-methylbenzene;3-fluoro-4-methylpyridine;1,2-xylene

1,3-difluoro-2-methylbenzene;3-fluoro-4-methylpyridine;1,2-xylene (PubChem CID 160980861) has the molecular formula C21H22F3N and a molecular weight of 345.41 g/mol. Its IUPAC name is 1,3-difluoro-2-methylbenzene;3-fluoro-4-methylpyridine;1,2-xylene.

Molecular Properties

Compound Name1,3-difluoro-2-methylbenzene;3-fluoro-4-methylpyridine;1,2-xylene
PubChem CID160980861
Molecular FormulaC21H22F3N
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name1,3-difluoro-2-methylbenzene;3-fluoro-4-methylpyridine;1,2-xylene
SMILESCc1c(F)cccc1F.Cc1ccccc1C.Cc1ccncc1F
InChIInChI=1S/C8H10.C7H6F2.C6H6FN/c1-7-5-3-4-6-8(7)2;1-5-6(8)3-2-4-7(5)9;1-5-2-3-8-4-6(5)7/h3-6H,1-2H3;2-4H,1H3;2-4H,1H3
InChIKeySZMMFRFSXDKWHM-UHFFFAOYSA-N
XLogP6.11
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.41
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-difluoro-2-methylbenzene;ethane;1,2-xylene
CID 142353819
3,4-dimethylpyridine;1,2-xylene
CID 158871716
3-(2-fluorophenyl)-4-methylpyridine
CID 46313062
acetylene;1-fluoro-2-methylbenzene
CID 175248306
3-fluoro-4-(trideuteriomethyl)pyridine
CID 164664231
acetylene;ethane;1-fluoro-2-methylbenzene
CID 145259299
1,3-difluoro-2-methylbenzene;2-methylpropane
CID 159186577
ethane;1-fluoro-2-methylbenzene;methane
CID 143320188
[(2,3-difluorophenyl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105279808
[(2-fluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]hydrazine
CID 105335451
N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide
CID 103862773
1-fluoro-2-methylbenzene;4-methyl-1-oxidopyridin-1-ium;3-methylpyridine;4-methylpyridine;1,2-xylene
CID 159078418

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-methylbenzene;3-fluoro-4-methylpyridine;1,2-xylene?
The IUPAC name of 1,3-difluoro-2-methylbenzene;3-fluoro-4-methylpyridine;1,2-xylene (CID 160980861) is 1,3-difluoro-2-methylbenzene;3-fluoro-4-methylpyridine;1,2-xylene.
What is the SMILES notation for 1,3-difluoro-2-methylbenzene;3-fluoro-4-methylpyridine;1,2-xylene?
The canonical SMILES for 1,3-difluoro-2-methylbenzene;3-fluoro-4-methylpyridine;1,2-xylene is Cc1c(F)cccc1F.Cc1ccccc1C.Cc1ccncc1F.
What is the InChIKey of 1,3-difluoro-2-methylbenzene;3-fluoro-4-methylpyridine;1,2-xylene?
The InChIKey is SZMMFRFSXDKWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C7H6F2.C6H6FN/c1-7-5-3-4-6-8(7)2;1-5-6(8)3-2-4-7(5)9;1-5-2-3-8-4-6(5)7/h3-6H,1-2H3;2-4H,1H3;2-4H,1H3.
What are the key properties of 1,3-difluoro-2-methylbenzene;3-fluoro-4-methylpyridine;1,2-xylene?
1,3-difluoro-2-methylbenzene;3-fluoro-4-methylpyridine;1,2-xylene has a molecular weight of 345.41 g/mol, XLogP of 6.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-methylbenzene;3-fluoro-4-methylpyridine;1,2-xylene is sourced from PubChem (CID 160980861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).