1,3-dichloro-2-fluorobenzene;molecular nitrogen;hydrofluoride

C6H4Cl2F2N2 — CID 174739801

IUPAC1,3-dichloro-2-fluorobenzene;molecular nitrogen;hydrofluoride
SMILESF.Fc1c(Cl)cccc1Cl.N#N
InChIInChI=1S/C6H3Cl2F.FH.N2/c7-4-2-1-3-5(8)6(4)9;;1-2/h1-3H;1H;
InChIKeyKGBSKCRMVBJCDG-UHFFFAOYSA-N
MW213.01 g/mol
LogP3.32
Rot. Bonds

About 1,3-dichloro-2-fluorobenzene;molecular nitrogen;hydrofluoride

1,3-dichloro-2-fluorobenzene;molecular nitrogen;hydrofluoride (PubChem CID 174739801) has the molecular formula C6H4Cl2F2N2 and a molecular weight of 213.01 g/mol. Its IUPAC name is 1,3-dichloro-2-fluorobenzene;molecular nitrogen;hydrofluoride.

Molecular Properties

Compound Name1,3-dichloro-2-fluorobenzene;molecular nitrogen;hydrofluoride
PubChem CID174739801
Molecular FormulaC6H4Cl2F2N2
Molecular Weight213.01 g/mol
Exact Mass211.97
IUPAC Name1,3-dichloro-2-fluorobenzene;molecular nitrogen;hydrofluoride
SMILESF.Fc1c(Cl)cccc1Cl.N#N
InChIInChI=1S/C6H3Cl2F.FH.N2/c7-4-2-1-3-5(8)6(4)9;;1-2/h1-3H;1H;
InChIKeyKGBSKCRMVBJCDG-UHFFFAOYSA-N
XLogP3.32
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.01
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-2,3-difluorobenzene
CID 157449386
(3-chloro-2-fluorophenyl)azanium
CID 144971362
1-chloro-3-(3-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 141078897
3-chloro-2-fluoro-N,N-dimethylaniline
CID 138495185
1-[bromo(difluoro)methyl]-3-chloro-2-fluorobenzene
CID 175127177
1-chloro-2-fluoro-3-methylbenzene;diiodozinc
CID 174784139
1-chloro-2-fluoro-3-isocyanobenzene
CID 2769522
1-chloro-2-fluoro-3-methoxybenzene;methane
CID 142301090
1-chloro-3-(3-chloropropyl)-2-fluorobenzene
CID 53434110
1-chloro-2-fluoro-3-[(2S)-3-methylbutan-2-yl]benzene
CID 147465889
1-chloro-2-fluoro-3-(trichloromethoxy)benzene
CID 71669471
(1S)-1-(3-chloro-2-fluorophenyl)ethanol
CID 64712910

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-fluorobenzene;molecular nitrogen;hydrofluoride?
The IUPAC name of 1,3-dichloro-2-fluorobenzene;molecular nitrogen;hydrofluoride (CID 174739801) is 1,3-dichloro-2-fluorobenzene;molecular nitrogen;hydrofluoride.
What is the SMILES notation for 1,3-dichloro-2-fluorobenzene;molecular nitrogen;hydrofluoride?
The canonical SMILES for 1,3-dichloro-2-fluorobenzene;molecular nitrogen;hydrofluoride is F.Fc1c(Cl)cccc1Cl.N#N.
What is the InChIKey of 1,3-dichloro-2-fluorobenzene;molecular nitrogen;hydrofluoride?
The InChIKey is KGBSKCRMVBJCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2F.FH.N2/c7-4-2-1-3-5(8)6(4)9;;1-2/h1-3H;1H;.
What are the key properties of 1,3-dichloro-2-fluorobenzene;molecular nitrogen;hydrofluoride?
1,3-dichloro-2-fluorobenzene;molecular nitrogen;hydrofluoride has a molecular weight of 213.01 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-fluorobenzene;molecular nitrogen;hydrofluoride is sourced from PubChem (CID 174739801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).