[(2,4-difluorophenyl)-(3-methylcyclohexyl)methyl]hydrazine

C14H20F2N2 — CID 105210328

IUPAC[(2,4-difluorophenyl)-(3-methylcyclohexyl)methyl]hydrazine
SMILESCC1CCCC(C(NN)c2ccc(F)cc2F)C1
InChIInChI=1S/C14H20F2N2/c1-9-3-2-4-10(7-9)14(18-17)12-6-5-11(15)8-13(12)16/h5-6,8-10,14,18H,2-4,7,17H2,1H3
InChIKeyTYQQPOQNYKGTBI-UHFFFAOYSA-N
MW254.32 g/mol
LogP3.30
Rot. Bonds3

About [(2,4-difluorophenyl)-(3-methylcyclohexyl)methyl]hydrazine

[(2,4-difluorophenyl)-(3-methylcyclohexyl)methyl]hydrazine (PubChem CID 105210328) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is [(2,4-difluorophenyl)-(3-methylcyclohexyl)methyl]hydrazine.

Molecular Properties

Compound Name[(2,4-difluorophenyl)-(3-methylcyclohexyl)methyl]hydrazine
PubChem CID105210328
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name[(2,4-difluorophenyl)-(3-methylcyclohexyl)methyl]hydrazine
SMILESCC1CCCC(C(NN)c2ccc(F)cc2F)C1
InChIInChI=1S/C14H20F2N2/c1-9-3-2-4-10(7-9)14(18-17)12-6-5-11(15)8-13(12)16/h5-6,8-10,14,18H,2-4,7,17H2,1H3
InChIKeyTYQQPOQNYKGTBI-UHFFFAOYSA-N
XLogP3.30
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 [(2,4-difluorophenyl)-(3-methylcyclohexyl)methyl]hydrazine?
The IUPAC name of [(2,4-difluorophenyl)-(3-methylcyclohexyl)methyl]hydrazine (CID 105210328) is [(2,4-difluorophenyl)-(3-methylcyclohexyl)methyl]hydrazine.
What is the SMILES notation for [(2,4-difluorophenyl)-(3-methylcyclohexyl)methyl]hydrazine?
The canonical SMILES for [(2,4-difluorophenyl)-(3-methylcyclohexyl)methyl]hydrazine is CC1CCCC(C(NN)c2ccc(F)cc2F)C1.
What is the InChIKey of [(2,4-difluorophenyl)-(3-methylcyclohexyl)methyl]hydrazine?
The InChIKey is TYQQPOQNYKGTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-9-3-2-4-10(7-9)14(18-17)12-6-5-11(15)8-13(12)16/h5-6,8-10,14,18H,2-4,7,17H2,1H3.
What are the key properties of [(2,4-difluorophenyl)-(3-methylcyclohexyl)methyl]hydrazine?
[(2,4-difluorophenyl)-(3-methylcyclohexyl)methyl]hydrazine has a molecular weight of 254.32 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,4-difluorophenyl)-(3-methylcyclohexyl)methyl]hydrazine is sourced from PubChem (CID 105210328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).