2-[(2,6-difluorophenyl)methyl]-1,3-difluorobenzene

C13H8F4 — CID 15013079

IUPAC2-[(2,6-difluorophenyl)methyl]-1,3-difluorobenzene
SMILESFc1cccc(F)c1Cc1c(F)cccc1F
InChIInChI=1S/C13H8F4/c14-10-3-1-4-11(15)8(10)7-9-12(16)5-2-6-13(9)17/h1-6H,7H2
InChIKeyGIKQTDBHHSEDBX-UHFFFAOYSA-N
MW240.20 g/mol
LogP3.83
Rot. Bonds2

About 2-[(2,6-difluorophenyl)methyl]-1,3-difluorobenzene

2-[(2,6-difluorophenyl)methyl]-1,3-difluorobenzene (PubChem CID 15013079) has the molecular formula C13H8F4 and a molecular weight of 240.20 g/mol. Its IUPAC name is 2-[(2,6-difluorophenyl)methyl]-1,3-difluorobenzene.

Molecular Properties

Compound Name2-[(2,6-difluorophenyl)methyl]-1,3-difluorobenzene
PubChem CID15013079
Molecular FormulaC13H8F4
Molecular Weight240.20 g/mol
Exact Mass240.06
IUPAC Name2-[(2,6-difluorophenyl)methyl]-1,3-difluorobenzene
SMILESFc1cccc(F)c1Cc1c(F)cccc1F
InChIInChI=1S/C13H8F4/c14-10-3-1-4-11(15)8(10)7-9-12(16)5-2-6-13(9)17/h1-6H,7H2
InChIKeyGIKQTDBHHSEDBX-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.20
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

N-chloro-1-(2,6-difluorophenyl)methanamine
CID 126658076
2-(bromomethyl)-1,3-difluorobenzene;hydrochloride
CID 175540499
2-(bromomethyl)-1,3-difluorobenzene;ethene
CID 178142068
(2,6-difluorophenyl)methanethiol;ethane
CID 178170499
(2,6-difluorophenyl)methyl hypochlorite
CID 70312638
(2,6-difluorophenyl)methyl thiohypoiodite
CID 143620116
N-[(2,6-difluorophenyl)methyl]methanimine
CID 142040914
2-(2-chloroethylsulfanylmethyl)-1,3-difluorobenzene
CID 114935314
5-[(2,6-difluorophenyl)methyl]-2,3-dihydro-1,4-dioxine
CID 174914075
1,2-bis(bromomethyl)-3-fluorobenzene
CID 14111600
1,4-bis[(2,6-difluorophenyl)methyl]piperazine-1,4-diium
CID 6957083
1,2,3-trifluorobenzene
CID 15147

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluorophenyl)methyl]-1,3-difluorobenzene?
The IUPAC name of 2-[(2,6-difluorophenyl)methyl]-1,3-difluorobenzene (CID 15013079) is 2-[(2,6-difluorophenyl)methyl]-1,3-difluorobenzene.
What is the SMILES notation for 2-[(2,6-difluorophenyl)methyl]-1,3-difluorobenzene?
The canonical SMILES for 2-[(2,6-difluorophenyl)methyl]-1,3-difluorobenzene is Fc1cccc(F)c1Cc1c(F)cccc1F.
What is the InChIKey of 2-[(2,6-difluorophenyl)methyl]-1,3-difluorobenzene?
The InChIKey is GIKQTDBHHSEDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F4/c14-10-3-1-4-11(15)8(10)7-9-12(16)5-2-6-13(9)17/h1-6H,7H2.
What are the key properties of 2-[(2,6-difluorophenyl)methyl]-1,3-difluorobenzene?
2-[(2,6-difluorophenyl)methyl]-1,3-difluorobenzene has a molecular weight of 240.20 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluorophenyl)methyl]-1,3-difluorobenzene is sourced from PubChem (CID 15013079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).