cyclohexylbenzene;1,1,2,3,3,3-hexafluoropropane-1-sulfonic acid;phenylhydrazine

C33H42F6N2O3S — CID 162171285

IUPACcyclohexylbenzene;1,1,2,3,3,3-hexafluoropropane-1-sulfonic acid;phenylhydrazine
SMILESNNc1ccccc1.O=S(=O)(O)C(F)(F)C(F)C(F)(F)F.c1ccc(C2CCCCC2)cc1.c1ccc(C2CCCCC2)cc1
InChIInChI=1S/2C12H16.C6H8N2.C3H2F6O3S/c2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;7-8-6-4-2-1-3-5-6;4-1(2(5,6)7)3(8,9)13(10,11)12/h2*1,3-4,7-8,12H,2,5-6,9-10H2;1-5,8H,7H2;1H,(H,10,11,12)
InChIKeyZNVBSQDBBHANQW-UHFFFAOYSA-N
MW660.77 g/mol
LogP9.81
Rot. Bonds5

About cyclohexylbenzene;1,1,2,3,3,3-hexafluoropropane-1-sulfonic acid;phenylhydrazine

cyclohexylbenzene;1,1,2,3,3,3-hexafluoropropane-1-sulfonic acid;phenylhydrazine (PubChem CID 162171285) has the molecular formula C33H42F6N2O3S and a molecular weight of 660.77 g/mol. Its IUPAC name is cyclohexylbenzene;1,1,2,3,3,3-hexafluoropropane-1-sulfonic acid;phenylhydrazine.

Molecular Properties

Compound Namecyclohexylbenzene;1,1,2,3,3,3-hexafluoropropane-1-sulfonic acid;phenylhydrazine
PubChem CID162171285
Molecular FormulaC33H42F6N2O3S
Molecular Weight660.77 g/mol
Exact Mass660.28
IUPAC Namecyclohexylbenzene;1,1,2,3,3,3-hexafluoropropane-1-sulfonic acid;phenylhydrazine
SMILESNNc1ccccc1.O=S(=O)(O)C(F)(F)C(F)C(F)(F)F.c1ccc(C2CCCCC2)cc1.c1ccc(C2CCCCC2)cc1
InChIInChI=1S/2C12H16.C6H8N2.C3H2F6O3S/c2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;7-8-6-4-2-1-3-5-6;4-1(2(5,6)7)3(8,9)13(10,11)12/h2*1,3-4,7-8,12H,2,5-6,9-10H2;1-5,8H,7H2;1H,(H,10,11,12)
InChIKeyZNVBSQDBBHANQW-UHFFFAOYSA-N
XLogP9.81
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.77
LogP ≤ 59.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-4-(2-phenylphenyl)benzene;sulfane;trifluoromethanesulfonic acid
CID 174583344
hydroxylamine;phenylhydrazine;sulfuric acid
CID 163968369
CID 159076923
CID 159076923
chlorobenzene;phenylhydrazine;sulfuric acid
CID 175139675
cyclohexylbenzene;hydrogen peroxide;hydrate
CID 174910153
bis(4-cyclohexylphenyl)phosphane;trifluoromethanesulfonic acid
CID 171927734
1,1'-biphenyl;cyclohexylbenzene
CID 141106050
cyclopentylbenzene;iron
CID 158512704
phenylhydrazine;bis(2,2,2-trifluoroacetic acid)
CID 162301576
phenyl-bis(2,4,6-tricyclohexylphenyl)phosphane;trifluoromethanesulfonic acid
CID 171931918
1-chloro-3-cyclopropylbenzene;trifluoromethanesulfonic acid
CID 87246766
bis(1,1,2,3,3,3-hexafluoropropane-1-sulfonic acid);bis(4-iodophenol)
CID 171927278

Frequently Asked Questions

What is the IUPAC name of cyclohexylbenzene;1,1,2,3,3,3-hexafluoropropane-1-sulfonic acid;phenylhydrazine?
The IUPAC name of cyclohexylbenzene;1,1,2,3,3,3-hexafluoropropane-1-sulfonic acid;phenylhydrazine (CID 162171285) is cyclohexylbenzene;1,1,2,3,3,3-hexafluoropropane-1-sulfonic acid;phenylhydrazine.
What is the SMILES notation for cyclohexylbenzene;1,1,2,3,3,3-hexafluoropropane-1-sulfonic acid;phenylhydrazine?
The canonical SMILES for cyclohexylbenzene;1,1,2,3,3,3-hexafluoropropane-1-sulfonic acid;phenylhydrazine is NNc1ccccc1.O=S(=O)(O)C(F)(F)C(F)C(F)(F)F.c1ccc(C2CCCCC2)cc1.c1ccc(C2CCCCC2)cc1.
What is the InChIKey of cyclohexylbenzene;1,1,2,3,3,3-hexafluoropropane-1-sulfonic acid;phenylhydrazine?
The InChIKey is ZNVBSQDBBHANQW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H16.C6H8N2.C3H2F6O3S/c2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;7-8-6-4-2-1-3-5-6;4-1(2(5,6)7)3(8,9)13(10,11)12/h2*1,3-4,7-8,12H,2,5-6,9-10H2;1-5,8H,7H2;1H,(H,10,11,12).
What are the key properties of cyclohexylbenzene;1,1,2,3,3,3-hexafluoropropane-1-sulfonic acid;phenylhydrazine?
cyclohexylbenzene;1,1,2,3,3,3-hexafluoropropane-1-sulfonic acid;phenylhydrazine has a molecular weight of 660.77 g/mol, XLogP of 9.81, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylbenzene;1,1,2,3,3,3-hexafluoropropane-1-sulfonic acid;phenylhydrazine is sourced from PubChem (CID 162171285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).