chlorobenzene;fluorobenzene;dihydrate

C12H14ClFO2 — CID 174541294

IUPACchlorobenzene;fluorobenzene;dihydrate
SMILESClc1ccccc1.Fc1ccccc1.O.O
InChIInChI=1S/C6H5Cl.C6H5F.2H2O/c2*7-6-4-2-1-3-5-6;;/h2*1-5H;2*1H2
InChIKeyOMTISEXDUNRSBR-UHFFFAOYSA-N
MW244.69 g/mol
LogP2.52
Rot. Bonds

About chlorobenzene;fluorobenzene;dihydrate

chlorobenzene;fluorobenzene;dihydrate (PubChem CID 174541294) has the molecular formula C12H14ClFO2 and a molecular weight of 244.69 g/mol. Its IUPAC name is chlorobenzene;fluorobenzene;dihydrate.

Molecular Properties

Compound Namechlorobenzene;fluorobenzene;dihydrate
PubChem CID174541294
Molecular FormulaC12H14ClFO2
Molecular Weight244.69 g/mol
Exact Mass244.07
IUPAC Namechlorobenzene;fluorobenzene;dihydrate
SMILESClc1ccccc1.Fc1ccccc1.O.O
InChIInChI=1S/C6H5Cl.C6H5F.2H2O/c2*7-6-4-2-1-3-5-6;;/h2*1-5H;2*1H2
InChIKeyOMTISEXDUNRSBR-UHFFFAOYSA-N
XLogP2.52
TPSA63.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.69
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of chlorobenzene;fluorobenzene;dihydrate?
The IUPAC name of chlorobenzene;fluorobenzene;dihydrate (CID 174541294) is chlorobenzene;fluorobenzene;dihydrate.
What is the SMILES notation for chlorobenzene;fluorobenzene;dihydrate?
The canonical SMILES for chlorobenzene;fluorobenzene;dihydrate is Clc1ccccc1.Fc1ccccc1.O.O.
What is the InChIKey of chlorobenzene;fluorobenzene;dihydrate?
The InChIKey is OMTISEXDUNRSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl.C6H5F.2H2O/c2*7-6-4-2-1-3-5-6;;/h2*1-5H;2*1H2.
What are the key properties of chlorobenzene;fluorobenzene;dihydrate?
chlorobenzene;fluorobenzene;dihydrate has a molecular weight of 244.69 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chlorobenzene;fluorobenzene;dihydrate is sourced from PubChem (CID 174541294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).