sodium;1-chloro-2-(trifluoromethyl)benzene;hydride

C7H5ClF3Na — CID 175454034

IUPACsodium;1-chloro-2-(trifluoromethyl)benzene;hydride
SMILESFC(F)(F)c1ccccc1Cl.[H-].[Na+]
InChIInChI=1S/C7H4ClF3.Na.H/c8-6-4-2-1-3-5(6)7(9,10)11;;/h1-4H;;/q;+1;-1
InChIKeyBQNGHGGAQWJLSY-UHFFFAOYSA-N
MW204.55 g/mol
LogP0.48
Rot. Bonds

About sodium;1-chloro-2-(trifluoromethyl)benzene;hydride

sodium;1-chloro-2-(trifluoromethyl)benzene;hydride (PubChem CID 175454034) has the molecular formula C7H5ClF3Na and a molecular weight of 204.55 g/mol. Its IUPAC name is sodium;1-chloro-2-(trifluoromethyl)benzene;hydride.

Molecular Properties

Compound Namesodium;1-chloro-2-(trifluoromethyl)benzene;hydride
PubChem CID175454034
Molecular FormulaC7H5ClF3Na
Molecular Weight204.55 g/mol
Exact Mass203.99
IUPAC Namesodium;1-chloro-2-(trifluoromethyl)benzene;hydride
SMILESFC(F)(F)c1ccccc1Cl.[H-].[Na+]
InChIInChI=1S/C7H4ClF3.Na.H/c8-6-4-2-1-3-5(6)7(9,10)11;;/h1-4H;;/q;+1;-1
InChIKeyBQNGHGGAQWJLSY-UHFFFAOYSA-N
XLogP0.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.55
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-2-(trifluoromethyl)benzene
CID 161495124
1-chloro-2-(trifluoromethyl)benzene
CID 6921
1-chloro-2-(trifluoromethyl)benzene thiocyanate
CID 86593094
1-chloro-2-[(2-chlorophenyl)-difluoromethyl]benzene
CID 22023801
1-[bromo(difluoro)methyl]-2-chlorobenzene
CID 58133508
1-chloro-2-(trichloromethyl)benzene
CID 16494
1-chloro-5-(trifluoromethyl)naphthalene
CID 20538520
1-chloro-2-[1-(2-chlorophenyl)-1,2,2,3,3,3-hexafluoropropyl]benzene
CID 22336549
1-chloro-2-(trichloromethyl)benzene;hydrofluoride
CID 21414937
[(2-chlorophenyl)-difluoromethyl]phosphonic acid
CID 91535582
3-(2-chlorophenyl)-3-fluoro-2-methylbutan-2-amine
CID 105469306
2-(2-chlorophenyl)-2,2-difluoroacetyl fluoride
CID 118255532

Frequently Asked Questions

What is the IUPAC name of sodium;1-chloro-2-(trifluoromethyl)benzene;hydride?
The IUPAC name of sodium;1-chloro-2-(trifluoromethyl)benzene;hydride (CID 175454034) is sodium;1-chloro-2-(trifluoromethyl)benzene;hydride.
What is the SMILES notation for sodium;1-chloro-2-(trifluoromethyl)benzene;hydride?
The canonical SMILES for sodium;1-chloro-2-(trifluoromethyl)benzene;hydride is FC(F)(F)c1ccccc1Cl.[H-].[Na+].
What is the InChIKey of sodium;1-chloro-2-(trifluoromethyl)benzene;hydride?
The InChIKey is BQNGHGGAQWJLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3.Na.H/c8-6-4-2-1-3-5(6)7(9,10)11;;/h1-4H;;/q;+1;-1.
What are the key properties of sodium;1-chloro-2-(trifluoromethyl)benzene;hydride?
sodium;1-chloro-2-(trifluoromethyl)benzene;hydride has a molecular weight of 204.55 g/mol, XLogP of 0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1-chloro-2-(trifluoromethyl)benzene;hydride is sourced from PubChem (CID 175454034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).