[(3-chloro-4-methylphenyl)-(4,4-difluorocyclohexyl)methyl]hydrazine

C14H19ClF2N2 — CID 107562549

IUPAC[(3-chloro-4-methylphenyl)-(4,4-difluorocyclohexyl)methyl]hydrazine
SMILESCc1ccc(C(NN)C2CCC(F)(F)CC2)cc1Cl
InChIInChI=1S/C14H19ClF2N2/c1-9-2-3-11(8-12(9)15)13(19-18)10-4-6-14(16,17)7-5-10/h2-3,8,10,13,19H,4-7,18H2,1H3
InChIKeyOBWSXIACPKLVIL-UHFFFAOYSA-N
MW288.77 g/mol
LogP3.98
Rot. Bonds3

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

[(3-chloro-4-methylphenyl)-(4,4-difluorocyclohexyl)methyl]hydrazine (PubChem CID 107562549) has the molecular formula C14H19ClF2N2 and a molecular weight of 288.77 g/mol. Its IUPAC name is [(3-chloro-4-methylphenyl)-(4,4-difluorocyclohexyl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-chloro-4-methylphenyl)-(4,4-difluorocyclohexyl)methyl]hydrazine
PubChem CID107562549
Molecular FormulaC14H19ClF2N2
Molecular Weight288.77 g/mol
Exact Mass288.12
IUPAC Name[(3-chloro-4-methylphenyl)-(4,4-difluorocyclohexyl)methyl]hydrazine
SMILESCc1ccc(C(NN)C2CCC(F)(F)CC2)cc1Cl
InChIInChI=1S/C14H19ClF2N2/c1-9-2-3-11(8-12(9)15)13(19-18)10-4-6-14(16,17)7-5-10/h2-3,8,10,13,19H,4-7,18H2,1H3
InChIKeyOBWSXIACPKLVIL-UHFFFAOYSA-N
XLogP3.98
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 53.98
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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Related Compounds

[(3-chloro-4-methylphenyl)-(4-ethylcyclohexyl)methyl]hydrazine
CID 105313068
[(3-chloro-4-methylphenyl)-(4-propylcyclohexyl)methyl]hydrazine
CID 107562364
1-(4,4-difluorocyclohexyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107130403
[(4,4-difluorocyclohexyl)-(3,5-dimethoxyphenyl)methyl]hydrazine
CID 105323920
[(4,4-difluorocyclohexyl)-(4-ethoxyphenyl)methyl]hydrazine
CID 105300749
(4,4-difluorocyclohexyl)-(3,4-dimethylphenyl)methanamine
CID 105140363
[(5-chlorothiophen-2-yl)-(4,4-difluorocyclohexyl)methyl]hydrazine
CID 105328252
[1-(3-chloro-4-methylphenyl)-2-cyclobutylethyl]hydrazine
CID 105310083
[(3-chloro-4-methylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]hydrazine
CID 107562491
1-(4,4-difluorocyclohexyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 105144881
[cyclopropyl-(3-methoxy-4-methylphenyl)methyl]hydrazine
CID 105314485
[(3-chloro-4-iodophenyl)-cyclopentylmethyl]hydrazine
CID 103217237

Frequently Asked Questions

What is the IUPAC name of [(3-chloro-4-methylphenyl)-(4,4-difluorocyclohexyl)methyl]hydrazine?
The IUPAC name of [(3-chloro-4-methylphenyl)-(4,4-difluorocyclohexyl)methyl]hydrazine (CID 107562549) is [(3-chloro-4-methylphenyl)-(4,4-difluorocyclohexyl)methyl]hydrazine.
What is the SMILES notation for [(3-chloro-4-methylphenyl)-(4,4-difluorocyclohexyl)methyl]hydrazine?
The canonical SMILES for [(3-chloro-4-methylphenyl)-(4,4-difluorocyclohexyl)methyl]hydrazine is Cc1ccc(C(NN)C2CCC(F)(F)CC2)cc1Cl.
What is the InChIKey of [(3-chloro-4-methylphenyl)-(4,4-difluorocyclohexyl)methyl]hydrazine?
The InChIKey is OBWSXIACPKLVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClF2N2/c1-9-2-3-11(8-12(9)15)13(19-18)10-4-6-14(16,17)7-5-10/h2-3,8,10,13,19H,4-7,18H2,1H3.
What are the key properties of [(3-chloro-4-methylphenyl)-(4,4-difluorocyclohexyl)methyl]hydrazine?
[(3-chloro-4-methylphenyl)-(4,4-difluorocyclohexyl)methyl]hydrazine has a molecular weight of 288.77 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-chloro-4-methylphenyl)-(4,4-difluorocyclohexyl)methyl]hydrazine is sourced from PubChem (CID 107562549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).