1,3-difluorobenzene;1,4-difluorobenzene

C12H8F4 — CID 159873588

IUPAC1,3-difluorobenzene;1,4-difluorobenzene
SMILESFc1ccc(F)cc1.Fc1cccc(F)c1
InChIInChI=1S/2C6H4F2/c7-5-1-2-6(8)4-3-5;7-5-2-1-3-6(8)4-5/h2*1-4H
InChIKeyNSPSTMKGFXVGTR-UHFFFAOYSA-N
MW228.19 g/mol
LogP3.93
Rot. Bonds

About 1,3-difluorobenzene;1,4-difluorobenzene

1,3-difluorobenzene;1,4-difluorobenzene (PubChem CID 159873588) has the molecular formula C12H8F4 and a molecular weight of 228.19 g/mol. Its IUPAC name is 1,3-difluorobenzene;1,4-difluorobenzene.

Molecular Properties

Compound Name1,3-difluorobenzene;1,4-difluorobenzene
PubChem CID159873588
Molecular FormulaC12H8F4
Molecular Weight228.19 g/mol
Exact Mass228.06
IUPAC Name1,3-difluorobenzene;1,4-difluorobenzene
SMILESFc1ccc(F)cc1.Fc1cccc(F)c1
InChIInChI=1S/2C6H4F2/c7-5-1-2-6(8)4-3-5;7-5-2-1-3-6(8)4-5/h2*1-4H
InChIKeyNSPSTMKGFXVGTR-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.19
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-difluorobenzene;methanol
CID 144994633
1,3-difluorobenzene;formic acid
CID 158586074
acetaldehyde;1,3-difluorobenzene
CID 160854263
1,3-difluorobenzene;sulfuryl dichloride
CID 87166886
3-fluoro-N-(4-fluorophenyl)aniline
CID 54316192
1-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]benzene
CID 11148621
fluoro(1,2,3,4,5,6-13C6)cyclohexatriene
CID 76973692
ethane;1-fluoro-3-methylbenzene
CID 123790085
3-chloro-1-fluoro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 71309867
1,4-difluorobenzene bromide
CID 21301175
1-fluoro-3-[2-(4-fluorophenyl)propan-2-yl]benzene
CID 54498012
fluorobenzene fluoride
CID 139243602

Frequently Asked Questions

What is the IUPAC name of 1,3-difluorobenzene;1,4-difluorobenzene?
The IUPAC name of 1,3-difluorobenzene;1,4-difluorobenzene (CID 159873588) is 1,3-difluorobenzene;1,4-difluorobenzene.
What is the SMILES notation for 1,3-difluorobenzene;1,4-difluorobenzene?
The canonical SMILES for 1,3-difluorobenzene;1,4-difluorobenzene is Fc1ccc(F)cc1.Fc1cccc(F)c1.
What is the InChIKey of 1,3-difluorobenzene;1,4-difluorobenzene?
The InChIKey is NSPSTMKGFXVGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H4F2/c7-5-1-2-6(8)4-3-5;7-5-2-1-3-6(8)4-5/h2*1-4H.
What are the key properties of 1,3-difluorobenzene;1,4-difluorobenzene?
1,3-difluorobenzene;1,4-difluorobenzene has a molecular weight of 228.19 g/mol, XLogP of 3.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluorobenzene;1,4-difluorobenzene is sourced from PubChem (CID 159873588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).