[(4-methylcyclohexyl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine

C14H17F5N2 — CID 105311823

IUPAC[(4-methylcyclohexyl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine
SMILESCC1CCC(C(NN)c2c(F)c(F)c(F)c(F)c2F)CC1
InChIInChI=1S/C14H17F5N2/c1-6-2-4-7(5-3-6)14(21-20)8-9(15)11(17)13(19)12(18)10(8)16/h6-7,14,21H,2-5,20H2,1H3
InChIKeyBIIBVIUVFUNAMW-UHFFFAOYSA-N
MW308.29 g/mol
LogP3.71
Rot. Bonds3

About [(4-methylcyclohexyl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine

[(4-methylcyclohexyl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine (PubChem CID 105311823) has the molecular formula C14H17F5N2 and a molecular weight of 308.29 g/mol. Its IUPAC name is [(4-methylcyclohexyl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-methylcyclohexyl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine
PubChem CID105311823
Molecular FormulaC14H17F5N2
Molecular Weight308.29 g/mol
Exact Mass308.13
IUPAC Name[(4-methylcyclohexyl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine
SMILESCC1CCC(C(NN)c2c(F)c(F)c(F)c(F)c2F)CC1
InChIInChI=1S/C14H17F5N2/c1-6-2-4-7(5-3-6)14(21-20)8-9(15)11(17)13(19)12(18)10(8)16/h6-7,14,21H,2-5,20H2,1H3
InChIKeyBIIBVIUVFUNAMW-UHFFFAOYSA-N
XLogP3.71
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(2-chloro-6-fluorophenyl)-(4-methylcyclohexyl)methyl]hydrazine
CID 105311747
[(2,6-difluoro-3-methylphenyl)-(3-methylcyclopentyl)methyl]hydrazine
CID 105233118
[(4-methylcyclohexyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105311803
[(2,5-difluorophenyl)-(4-methylcyclohexyl)methyl]hydrazine
CID 105210581
[(2-fluoro-5-methylphenyl)-(4-methylcyclohexyl)methyl]hydrazine
CID 105210507
[(2-bromo-4-fluorophenyl)-(4-methylcyclohexyl)methyl]hydrazine
CID 105311807
[(2,6-difluoro-3-methylphenyl)-(4-propan-2-ylcyclohexyl)methyl]hydrazine
CID 105232448
[(3-bromo-2,6-difluorophenyl)-cyclopropylmethyl]hydrazine
CID 106945257
1-cycloheptyl-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 105027599
[(2-methoxyphenyl)-(4-methylcyclohexyl)methyl]hydrazine
CID 105191189
[2,2-difluoro-1-(4-methylcyclohexyl)ethyl]hydrazine
CID 105265151
[(4,5-dimethylthiophen-2-yl)-(4-methylcyclohexyl)methyl]hydrazine
CID 105311776

Frequently Asked Questions

What is the IUPAC name of [(4-methylcyclohexyl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine?
The IUPAC name of [(4-methylcyclohexyl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine (CID 105311823) is [(4-methylcyclohexyl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine.
What is the SMILES notation for [(4-methylcyclohexyl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine?
The canonical SMILES for [(4-methylcyclohexyl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine is CC1CCC(C(NN)c2c(F)c(F)c(F)c(F)c2F)CC1.
What is the InChIKey of [(4-methylcyclohexyl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine?
The InChIKey is BIIBVIUVFUNAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F5N2/c1-6-2-4-7(5-3-6)14(21-20)8-9(15)11(17)13(19)12(18)10(8)16/h6-7,14,21H,2-5,20H2,1H3.
What are the key properties of [(4-methylcyclohexyl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine?
[(4-methylcyclohexyl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine has a molecular weight of 308.29 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-methylcyclohexyl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine is sourced from PubChem (CID 105311823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).