[(4,4-difluorocyclohexyl)-(5-fluoro-2-methoxyphenyl)methyl]hydrazine

C14H19F3N2O — CID 105330884

IUPAC[(4,4-difluorocyclohexyl)-(5-fluoro-2-methoxyphenyl)methyl]hydrazine
SMILESCOc1ccc(F)cc1C(NN)C1CCC(F)(F)CC1
InChIInChI=1S/C14H19F3N2O/c1-20-12-3-2-10(15)8-11(12)13(19-18)9-4-6-14(16,17)7-5-9/h2-3,8-9,13,19H,4-7,18H2,1H3
InChIKeyWRIMNUMCDXOPRW-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.16
Rot. Bonds4

About [(4,4-difluorocyclohexyl)-(5-fluoro-2-methoxyphenyl)methyl]hydrazine

[(4,4-difluorocyclohexyl)-(5-fluoro-2-methoxyphenyl)methyl]hydrazine (PubChem CID 105330884) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is [(4,4-difluorocyclohexyl)-(5-fluoro-2-methoxyphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(4,4-difluorocyclohexyl)-(5-fluoro-2-methoxyphenyl)methyl]hydrazine
PubChem CID105330884
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name[(4,4-difluorocyclohexyl)-(5-fluoro-2-methoxyphenyl)methyl]hydrazine
SMILESCOc1ccc(F)cc1C(NN)C1CCC(F)(F)CC1
InChIInChI=1S/C14H19F3N2O/c1-20-12-3-2-10(15)8-11(12)13(19-18)9-4-6-14(16,17)7-5-9/h2-3,8-9,13,19H,4-7,18H2,1H3
InChIKeyWRIMNUMCDXOPRW-UHFFFAOYSA-N
XLogP3.16
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(4,4-difluorocyclohexyl)-(2-methoxyphenyl)methyl]hydrazine
CID 105285751
[(5-fluoro-2-methoxyphenyl)-(3-methylcyclopentyl)methyl]hydrazine
CID 105233254
(4,4-difluorocyclohexyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 105122331
[(2,2-dimethylcyclopentyl)-(5-fluoro-2-methoxyphenyl)methyl]hydrazine
CID 107194613
[(5-fluoro-2-methoxyphenyl)-(2-methylcyclopropyl)methyl]hydrazine
CID 105234968
[(4,4-difluorocyclohexyl)-(2-propoxyphenyl)methyl]hydrazine
CID 105334414
[(5-fluoro-2-methoxyphenyl)-(1-methylcyclopropyl)methyl]hydrazine
CID 105253466
[(4,4-difluorocyclohexyl)-(3,5-dimethoxyphenyl)methyl]hydrazine
CID 105323920
[(2,4-dimethoxyphenyl)-(4,4-dimethylcyclohexyl)methyl]hydrazine
CID 105231871
(4,4-difluorocyclohexyl)-(2-methoxyphenyl)methanamine
CID 105093642
4-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]cyclohexan-1-one
CID 116957071
[(5-fluoro-2-methoxyphenyl)-(1-methoxycyclohexyl)methyl]hydrazine
CID 105276084

Frequently Asked Questions

What is the IUPAC name of [(4,4-difluorocyclohexyl)-(5-fluoro-2-methoxyphenyl)methyl]hydrazine?
The IUPAC name of [(4,4-difluorocyclohexyl)-(5-fluoro-2-methoxyphenyl)methyl]hydrazine (CID 105330884) is [(4,4-difluorocyclohexyl)-(5-fluoro-2-methoxyphenyl)methyl]hydrazine.
What is the SMILES notation for [(4,4-difluorocyclohexyl)-(5-fluoro-2-methoxyphenyl)methyl]hydrazine?
The canonical SMILES for [(4,4-difluorocyclohexyl)-(5-fluoro-2-methoxyphenyl)methyl]hydrazine is COc1ccc(F)cc1C(NN)C1CCC(F)(F)CC1.
What is the InChIKey of [(4,4-difluorocyclohexyl)-(5-fluoro-2-methoxyphenyl)methyl]hydrazine?
The InChIKey is WRIMNUMCDXOPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-20-12-3-2-10(15)8-11(12)13(19-18)9-4-6-14(16,17)7-5-9/h2-3,8-9,13,19H,4-7,18H2,1H3.
What are the key properties of [(4,4-difluorocyclohexyl)-(5-fluoro-2-methoxyphenyl)methyl]hydrazine?
[(4,4-difluorocyclohexyl)-(5-fluoro-2-methoxyphenyl)methyl]hydrazine has a molecular weight of 288.31 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4,4-difluorocyclohexyl)-(5-fluoro-2-methoxyphenyl)methyl]hydrazine is sourced from PubChem (CID 105330884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).