1,3-difluoro-2-methyl-5-(4-methylbenzene-6-id-1-yl)benzene-6-ide;tungsten(2+)

C14H10F2W — CID 167370501

IUPAC1,3-difluoro-2-methyl-5-(4-methylbenzene-6-id-1-yl)benzene-6-ide;tungsten(2+)
SMILESCc1c[c-]c(-c2[c-]c(F)c(C)c(F)c2)cc1.[W+2]
InChIInChI=1S/C14H10F2.W/c1-9-3-5-11(6-4-9)12-7-13(15)10(2)14(16)8-12;/h3-5,7H,1-2H3;/q-2;+2
InChIKeyHZUDNFRAVZARDU-UHFFFAOYSA-N
MW400.07 g/mol
LogP3.85
Rot. Bonds1

About 1,3-difluoro-2-methyl-5-(4-methylbenzene-6-id-1-yl)benzene-6-ide;tungsten(2+)

1,3-difluoro-2-methyl-5-(4-methylbenzene-6-id-1-yl)benzene-6-ide;tungsten(2+) (PubChem CID 167370501) has the molecular formula C14H10F2W and a molecular weight of 400.07 g/mol. Its IUPAC name is 1,3-difluoro-2-methyl-5-(4-methylbenzene-6-id-1-yl)benzene-6-ide;tungsten(2+).

Molecular Properties

Compound Name1,3-difluoro-2-methyl-5-(4-methylbenzene-6-id-1-yl)benzene-6-ide;tungsten(2+)
PubChem CID167370501
Molecular FormulaC14H10F2W
Molecular Weight400.07 g/mol
Exact Mass400.03
IUPAC Name1,3-difluoro-2-methyl-5-(4-methylbenzene-6-id-1-yl)benzene-6-ide;tungsten(2+)
SMILESCc1c[c-]c(-c2[c-]c(F)c(C)c(F)c2)cc1.[W+2]
InChIInChI=1S/C14H10F2.W/c1-9-3-5-11(6-4-9)12-7-13(15)10(2)14(16)8-12;/h3-5,7H,1-2H3;/q-2;+2
InChIKeyHZUDNFRAVZARDU-UHFFFAOYSA-N
XLogP3.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.07
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,3-difluoro-2-methyl-5-(4-methylbenzene-6-id-1-yl)benzene-6-ide;tungsten(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;1-methyl-3-(3-methylbenzene-2-id-1-yl)benzene-2-ide;1-methyl-3-(3-methylbenzene-6-id-1-yl)benzene-4-ide;1-methyl-4-(4-methylbenzene-6-id-1-yl)benzene-5-ide;tris(yttrium)
CID 158718781
2-fluoro-1,4-dimethylbenzene-6-ide;lanthanum
CID 173481982
2-(4-fluorobenzene-6-id-1-yl)-5-[2-[3-[2-[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]ethyl]-5-[2-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]ethyl]phenyl]ethyl]pyridine;rhodium(3+)
CID 59656998
2-(4-fluorobenzene-6-id-1-yl)-5-[2-[3-[2-[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]ethyl]-5-[2-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]ethyl]phenyl]ethyl]pyridine;iridium(3+)
CID 59657006
CID 144806033
CID 144806033
1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene
CID 91513157
1-chloro-2-fluoro-4-methylbenzene;propane
CID 154658085
CID 156800178
CID 156800178
1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;methane;1,4-xylene
CID 161158761
3-(4-methylbenzene-6-id-1-yl)butanoic acid;tungsten(2+)
CID 58005437
1,3-difluoro-2,5-dimethylbenzene;hexane
CID 144528127
2-chloro-1-fluoro-4-methylbenzene;ethane
CID 142940012

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-methyl-5-(4-methylbenzene-6-id-1-yl)benzene-6-ide;tungsten(2+)?
The IUPAC name of 1,3-difluoro-2-methyl-5-(4-methylbenzene-6-id-1-yl)benzene-6-ide;tungsten(2+) (CID 167370501) is 1,3-difluoro-2-methyl-5-(4-methylbenzene-6-id-1-yl)benzene-6-ide;tungsten(2+).
What is the SMILES notation for 1,3-difluoro-2-methyl-5-(4-methylbenzene-6-id-1-yl)benzene-6-ide;tungsten(2+)?
The canonical SMILES for 1,3-difluoro-2-methyl-5-(4-methylbenzene-6-id-1-yl)benzene-6-ide;tungsten(2+) is Cc1c[c-]c(-c2[c-]c(F)c(C)c(F)c2)cc1.[W+2].
What is the InChIKey of 1,3-difluoro-2-methyl-5-(4-methylbenzene-6-id-1-yl)benzene-6-ide;tungsten(2+)?
The InChIKey is HZUDNFRAVZARDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2.W/c1-9-3-5-11(6-4-9)12-7-13(15)10(2)14(16)8-12;/h3-5,7H,1-2H3;/q-2;+2.
What are the key properties of 1,3-difluoro-2-methyl-5-(4-methylbenzene-6-id-1-yl)benzene-6-ide;tungsten(2+)?
1,3-difluoro-2-methyl-5-(4-methylbenzene-6-id-1-yl)benzene-6-ide;tungsten(2+) has a molecular weight of 400.07 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-methyl-5-(4-methylbenzene-6-id-1-yl)benzene-6-ide;tungsten(2+) is sourced from PubChem (CID 167370501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).