1,3-difluoro-2-methylbenzene;1-fluoro-3-methylbenzene

C14H13F3 — CID 143240223

IUPAC1,3-difluoro-2-methylbenzene;1-fluoro-3-methylbenzene
SMILESCc1c(F)cccc1F.Cc1cccc(F)c1
InChIInChI=1S/C7H6F2.C7H7F/c1-5-6(8)3-2-4-7(5)9;1-6-3-2-4-7(8)5-6/h2-4H,1H3;2-5H,1H3
InChIKeyINXCRVVCVAOIHY-UHFFFAOYSA-N
MW238.25 g/mol
LogP4.41
Rot. Bonds

About 1,3-difluoro-2-methylbenzene;1-fluoro-3-methylbenzene

1,3-difluoro-2-methylbenzene;1-fluoro-3-methylbenzene (PubChem CID 143240223) has the molecular formula C14H13F3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 1,3-difluoro-2-methylbenzene;1-fluoro-3-methylbenzene.

Molecular Properties

Compound Name1,3-difluoro-2-methylbenzene;1-fluoro-3-methylbenzene
PubChem CID143240223
Molecular FormulaC14H13F3
Molecular Weight238.25 g/mol
Exact Mass238.10
IUPAC Name1,3-difluoro-2-methylbenzene;1-fluoro-3-methylbenzene
SMILESCc1c(F)cccc1F.Cc1cccc(F)c1
InChIInChI=1S/C7H6F2.C7H7F/c1-5-6(8)3-2-4-7(5)9;1-6-3-2-4-7(8)5-6/h2-4H,1H3;2-5H,1H3
InChIKeyINXCRVVCVAOIHY-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;1-fluoro-3-methylbenzene
CID 123790085
sodium;1-fluoro-3-methylbenzene;hydride
CID 174603883
1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;toluene
CID 160743052
1,2-difluoro-4-methylbenzene;ethane;1-fluoro-3-methylbenzene
CID 144581730
ethane;1-fluoro-3-methylbenzene;tetrachloromethane
CID 91543294
2-chloro-1-fluoro-4-methylbenzene;1-fluoro-3-methylbenzene
CID 143200692
1,3-difluoro-2-methylbenzene;2-methylpropane
CID 159186577
1,4-dimethylcyclohexane;1-fluoro-3-methylbenzene
CID 143126796
1,3-difluoro-2-methylbenzene;ethane;1,2-xylene
CID 142353819
1-fluoro-2-(3-fluorophenyl)-4-methylbenzene
CID 46313949
1,3-difluorobenzene;methanol
CID 144994633
benzene;cyclohexane;cyclohexene;fluorobenzene;1-fluoro-3-methylbenzene
CID 159130985

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-methylbenzene;1-fluoro-3-methylbenzene?
The IUPAC name of 1,3-difluoro-2-methylbenzene;1-fluoro-3-methylbenzene (CID 143240223) is 1,3-difluoro-2-methylbenzene;1-fluoro-3-methylbenzene.
What is the SMILES notation for 1,3-difluoro-2-methylbenzene;1-fluoro-3-methylbenzene?
The canonical SMILES for 1,3-difluoro-2-methylbenzene;1-fluoro-3-methylbenzene is Cc1c(F)cccc1F.Cc1cccc(F)c1.
What is the InChIKey of 1,3-difluoro-2-methylbenzene;1-fluoro-3-methylbenzene?
The InChIKey is INXCRVVCVAOIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2.C7H7F/c1-5-6(8)3-2-4-7(5)9;1-6-3-2-4-7(8)5-6/h2-4H,1H3;2-5H,1H3.
What are the key properties of 1,3-difluoro-2-methylbenzene;1-fluoro-3-methylbenzene?
1,3-difluoro-2-methylbenzene;1-fluoro-3-methylbenzene has a molecular weight of 238.25 g/mol, XLogP of 4.41, 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;1-fluoro-3-methylbenzene is sourced from PubChem (CID 143240223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).