dichloromethane;1-fluoro-2-phenylbenzene

C13H11Cl2F — CID 174471910

IUPACdichloromethane;1-fluoro-2-phenylbenzene
SMILESClCCl.Fc1ccccc1-c1ccccc1
InChIInChI=1S/C12H9F.CH2Cl2/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;2-1-3/h1-9H;1H2
InChIKeyQVDAFPRJRNVVOE-UHFFFAOYSA-N
MW257.14 g/mol
LogP4.91
Rot. Bonds1

About dichloromethane;1-fluoro-2-phenylbenzene

dichloromethane;1-fluoro-2-phenylbenzene (PubChem CID 174471910) has the molecular formula C13H11Cl2F and a molecular weight of 257.14 g/mol. Its IUPAC name is dichloromethane;1-fluoro-2-phenylbenzene.

Molecular Properties

Compound Namedichloromethane;1-fluoro-2-phenylbenzene
PubChem CID174471910
Molecular FormulaC13H11Cl2F
Molecular Weight257.14 g/mol
Exact Mass256.02
IUPAC Namedichloromethane;1-fluoro-2-phenylbenzene
SMILESClCCl.Fc1ccccc1-c1ccccc1
InChIInChI=1S/C12H9F.CH2Cl2/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;2-1-3/h1-9H;1H2
InChIKeyQVDAFPRJRNVVOE-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.14
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichloromethane;1-fluoro-2-phenylbenzene?
The IUPAC name of dichloromethane;1-fluoro-2-phenylbenzene (CID 174471910) is dichloromethane;1-fluoro-2-phenylbenzene.
What is the SMILES notation for dichloromethane;1-fluoro-2-phenylbenzene?
The canonical SMILES for dichloromethane;1-fluoro-2-phenylbenzene is ClCCl.Fc1ccccc1-c1ccccc1.
What is the InChIKey of dichloromethane;1-fluoro-2-phenylbenzene?
The InChIKey is QVDAFPRJRNVVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F.CH2Cl2/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;2-1-3/h1-9H;1H2.
What are the key properties of dichloromethane;1-fluoro-2-phenylbenzene?
dichloromethane;1-fluoro-2-phenylbenzene has a molecular weight of 257.14 g/mol, XLogP of 4.91, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;1-fluoro-2-phenylbenzene is sourced from PubChem (CID 174471910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).