1-chloro-2,3-difluorobenzene

C12H6Cl2F4 — CID 157449386

IUPAC1-chloro-2,3-difluorobenzene
SMILESFc1cccc(Cl)c1F.Fc1cccc(Cl)c1F
InChIInChI=1S/2C6H3ClF2/c2*7-4-2-1-3-5(8)6(4)9/h2*1-3H
InChIKeyBSPUBWMKRJUUIK-UHFFFAOYSA-N
MW297.08 g/mol
LogP5.24
Rot. Bonds

About 1-chloro-2,3-difluorobenzene

1-chloro-2,3-difluorobenzene (PubChem CID 157449386) has the molecular formula C12H6Cl2F4 and a molecular weight of 297.08 g/mol. Its IUPAC name is 1-chloro-2,3-difluorobenzene.

Molecular Properties

Compound Name1-chloro-2,3-difluorobenzene
PubChem CID157449386
Molecular FormulaC12H6Cl2F4
Molecular Weight297.08 g/mol
Exact Mass295.98
IUPAC Name1-chloro-2,3-difluorobenzene
SMILESFc1cccc(Cl)c1F.Fc1cccc(Cl)c1F
InChIInChI=1S/2C6H3ClF2/c2*7-4-2-1-3-5(8)6(4)9/h2*1-3H
InChIKeyBSPUBWMKRJUUIK-UHFFFAOYSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.08
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1,2,3-trifluorobenzene
CID 15147
1,3-dichloro-2-fluorobenzene;molecular nitrogen;hydrofluoride
CID 174739801
(3-chloro-2-fluorophenyl)azanium
CID 144971362
1-(3-chloro-2-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol
CID 82806467
1-chloro-3-(3-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 141078897
3-(2,3-dichlorophenyl)-1,2,4,5-tetrafluorobenzene
CID 118803913
3-chloro-2-fluoro-N,N-dimethylaniline
CID 138495185
1-chloro-8-fluorotriphenylene
CID 149499573
CID 167462330
CID 167462330
(2-chloro-6-fluorophenyl)-dimethylborane
CID 67978449
1-[bromo(difluoro)methyl]-3-chloro-2-fluorobenzene
CID 175127177
1-chloro-2-fluoro-3-methylbenzene;diiodozinc
CID 174784139

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,3-difluorobenzene?
The IUPAC name of 1-chloro-2,3-difluorobenzene (CID 157449386) is 1-chloro-2,3-difluorobenzene.
What is the SMILES notation for 1-chloro-2,3-difluorobenzene?
The canonical SMILES for 1-chloro-2,3-difluorobenzene is Fc1cccc(Cl)c1F.Fc1cccc(Cl)c1F.
What is the InChIKey of 1-chloro-2,3-difluorobenzene?
The InChIKey is BSPUBWMKRJUUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H3ClF2/c2*7-4-2-1-3-5(8)6(4)9/h2*1-3H.
What are the key properties of 1-chloro-2,3-difluorobenzene?
1-chloro-2,3-difluorobenzene has a molecular weight of 297.08 g/mol, XLogP of 5.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,3-difluorobenzene is sourced from PubChem (CID 157449386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).