[(4,4-difluorocyclohexyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine

C14H26F2N2O2S — CID 105324258

IUPAC[(4,4-difluorocyclohexyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
SMILESCS(=O)(=O)C1CCCC(C(NN)C2CCC(F)(F)CC2)C1
InChIInChI=1S/C14H26F2N2O2S/c1-21(19,20)12-4-2-3-11(9-12)13(18-17)10-5-7-14(15,16)8-6-10/h10-13,18H,2-9,17H2,1H3
InChIKeyQCMZYIYXYUKVPW-UHFFFAOYSA-N
MW324.44 g/mol
LogP2.25
Rot. Bonds4

About [(4,4-difluorocyclohexyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine

[(4,4-difluorocyclohexyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine (PubChem CID 105324258) has the molecular formula C14H26F2N2O2S and a molecular weight of 324.44 g/mol. Its IUPAC name is [(4,4-difluorocyclohexyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine.

Molecular Properties

Compound Name[(4,4-difluorocyclohexyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
PubChem CID105324258
Molecular FormulaC14H26F2N2O2S
Molecular Weight324.44 g/mol
Exact Mass324.17
IUPAC Name[(4,4-difluorocyclohexyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
SMILESCS(=O)(=O)C1CCCC(C(NN)C2CCC(F)(F)CC2)C1
InChIInChI=1S/C14H26F2N2O2S/c1-21(19,20)12-4-2-3-11(9-12)13(18-17)10-5-7-14(15,16)8-6-10/h10-13,18H,2-9,17H2,1H3
InChIKeyQCMZYIYXYUKVPW-UHFFFAOYSA-N
XLogP2.25
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.44
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4,4-difluorocyclohexyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine?
The IUPAC name of [(4,4-difluorocyclohexyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine (CID 105324258) is [(4,4-difluorocyclohexyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine.
What is the SMILES notation for [(4,4-difluorocyclohexyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine?
The canonical SMILES for [(4,4-difluorocyclohexyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine is CS(=O)(=O)C1CCCC(C(NN)C2CCC(F)(F)CC2)C1.
What is the InChIKey of [(4,4-difluorocyclohexyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine?
The InChIKey is QCMZYIYXYUKVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2N2O2S/c1-21(19,20)12-4-2-3-11(9-12)13(18-17)10-5-7-14(15,16)8-6-10/h10-13,18H,2-9,17H2,1H3.
What are the key properties of [(4,4-difluorocyclohexyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine?
[(4,4-difluorocyclohexyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine has a molecular weight of 324.44 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4,4-difluorocyclohexyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine is sourced from PubChem (CID 105324258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).