2-chloro-1-[(2-chloro-3-fluorophenyl)methyl]-3-fluorobenzene

C13H8Cl2F2 — CID 173100406

IUPAC2-chloro-1-[(2-chloro-3-fluorophenyl)methyl]-3-fluorobenzene
SMILESFc1cccc(Cc2cccc(F)c2Cl)c1Cl
InChIInChI=1S/C13H8Cl2F2/c14-12-8(3-1-5-10(12)16)7-9-4-2-6-11(17)13(9)15/h1-6H,7H2
InChIKeyYEMPMXUBKJXGMJ-UHFFFAOYSA-N
MW273.11 g/mol
LogP4.86
Rot. Bonds2

About 2-chloro-1-[(2-chloro-3-fluorophenyl)methyl]-3-fluorobenzene

2-chloro-1-[(2-chloro-3-fluorophenyl)methyl]-3-fluorobenzene (PubChem CID 173100406) has the molecular formula C13H8Cl2F2 and a molecular weight of 273.11 g/mol. Its IUPAC name is 2-chloro-1-[(2-chloro-3-fluorophenyl)methyl]-3-fluorobenzene.

Molecular Properties

Compound Name2-chloro-1-[(2-chloro-3-fluorophenyl)methyl]-3-fluorobenzene
PubChem CID173100406
Molecular FormulaC13H8Cl2F2
Molecular Weight273.11 g/mol
Exact Mass272.00
IUPAC Name2-chloro-1-[(2-chloro-3-fluorophenyl)methyl]-3-fluorobenzene
SMILESFc1cccc(Cc2cccc(F)c2Cl)c1Cl
InChIInChI=1S/C13H8Cl2F2/c14-12-8(3-1-5-10(12)16)7-9-4-2-6-11(17)13(9)15/h1-6H,7H2
InChIKeyYEMPMXUBKJXGMJ-UHFFFAOYSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.11
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2-chloro-3-fluorophenyl)methanethiol
CID 112652262
1-(bromomethyl)-2-chloro-3-fluorobenzene
CID 44782644
2-chloro-1-(2-chloroethyl)-3-fluorobenzene
CID 126973948
4-[(2-chloro-3-fluorophenyl)methyl]benzaldehyde
CID 178141700
2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 112653011
(2-chloro-3-fluorophenyl)methylhydrazine
CID 81453607
1-(2-chloro-3-fluorophenyl)-N-(2-methoxyethoxy)methanamine
CID 112652212
2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanone
CID 112653372
5-[(2-chloro-3-fluorophenyl)methyl]-1,3-thiazol-2-amine
CID 87352618
5-[(2-chloro-3-fluorophenyl)methyl]-1,3-thiazol-2-amine
CID 86063814
2-[(2-chloro-3-fluorophenyl)methyl]-1,1-dimethylhydrazine
CID 112652223
2-[(2-chloro-3-fluorophenyl)methylsulfanyl]ethanamine
CID 112652394

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[(2-chloro-3-fluorophenyl)methyl]-3-fluorobenzene?
The IUPAC name of 2-chloro-1-[(2-chloro-3-fluorophenyl)methyl]-3-fluorobenzene (CID 173100406) is 2-chloro-1-[(2-chloro-3-fluorophenyl)methyl]-3-fluorobenzene.
What is the SMILES notation for 2-chloro-1-[(2-chloro-3-fluorophenyl)methyl]-3-fluorobenzene?
The canonical SMILES for 2-chloro-1-[(2-chloro-3-fluorophenyl)methyl]-3-fluorobenzene is Fc1cccc(Cc2cccc(F)c2Cl)c1Cl.
What is the InChIKey of 2-chloro-1-[(2-chloro-3-fluorophenyl)methyl]-3-fluorobenzene?
The InChIKey is YEMPMXUBKJXGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F2/c14-12-8(3-1-5-10(12)16)7-9-4-2-6-11(17)13(9)15/h1-6H,7H2.
What are the key properties of 2-chloro-1-[(2-chloro-3-fluorophenyl)methyl]-3-fluorobenzene?
2-chloro-1-[(2-chloro-3-fluorophenyl)methyl]-3-fluorobenzene has a molecular weight of 273.11 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[(2-chloro-3-fluorophenyl)methyl]-3-fluorobenzene is sourced from PubChem (CID 173100406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).