sodium;1-fluoro-3-methylbenzene;hydride

C7H8FNa — CID 174603883

IUPACsodium;1-fluoro-3-methylbenzene;hydride
SMILESCc1cccc(F)c1.[H-].[Na+]
InChIInChI=1S/C7H7F.Na.H/c1-6-3-2-4-7(8)5-6;;/h2-5H,1H3;;/q;+1;-1
InChIKeyVQUROCFNQJMZLB-UHFFFAOYSA-N
MW134.13 g/mol
LogP-0.75
Rot. Bonds

About sodium;1-fluoro-3-methylbenzene;hydride

sodium;1-fluoro-3-methylbenzene;hydride (PubChem CID 174603883) has the molecular formula C7H8FNa and a molecular weight of 134.13 g/mol. Its IUPAC name is sodium;1-fluoro-3-methylbenzene;hydride.

Molecular Properties

Compound Namesodium;1-fluoro-3-methylbenzene;hydride
PubChem CID174603883
Molecular FormulaC7H8FNa
Molecular Weight134.13 g/mol
Exact Mass134.05
IUPAC Namesodium;1-fluoro-3-methylbenzene;hydride
SMILESCc1cccc(F)c1.[H-].[Na+]
InChIInChI=1S/C7H7F.Na.H/c1-6-3-2-4-7(8)5-6;;/h2-5H,1H3;;/q;+1;-1
InChIKeyVQUROCFNQJMZLB-UHFFFAOYSA-N
XLogP-0.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 5-0.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;1-fluoro-3-methylbenzene
CID 123790085
ethane;1-fluoro-3-methylbenzene;tetrachloromethane
CID 91543294
1,3-difluoro-2-methylbenzene;1-fluoro-3-methylbenzene
CID 143240223
1,4-dimethylcyclohexane;1-fluoro-3-methylbenzene
CID 143126796
1,2-difluoro-4-methylbenzene;ethane;1-fluoro-3-methylbenzene
CID 144581730
2-chloro-1-fluoro-4-methylbenzene;1-fluoro-3-methylbenzene
CID 143200692
1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;toluene
CID 160743052
1,3-difluorobenzene;methanol
CID 144994633
benzene;cyclohexane;cyclohexene;fluorobenzene;1-fluoro-3-methylbenzene
CID 159130985
phosphane;tris(1,3-xylene)
CID 67351774
uranium;1,3-xylene
CID 142096795
argon;1,3-xylene
CID 161468194

Frequently Asked Questions

What is the IUPAC name of sodium;1-fluoro-3-methylbenzene;hydride?
The IUPAC name of sodium;1-fluoro-3-methylbenzene;hydride (CID 174603883) is sodium;1-fluoro-3-methylbenzene;hydride.
What is the SMILES notation for sodium;1-fluoro-3-methylbenzene;hydride?
The canonical SMILES for sodium;1-fluoro-3-methylbenzene;hydride is Cc1cccc(F)c1.[H-].[Na+].
What is the InChIKey of sodium;1-fluoro-3-methylbenzene;hydride?
The InChIKey is VQUROCFNQJMZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F.Na.H/c1-6-3-2-4-7(8)5-6;;/h2-5H,1H3;;/q;+1;-1.
What are the key properties of sodium;1-fluoro-3-methylbenzene;hydride?
sodium;1-fluoro-3-methylbenzene;hydride has a molecular weight of 134.13 g/mol, XLogP of -0.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1-fluoro-3-methylbenzene;hydride is sourced from PubChem (CID 174603883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).