1-[5-[4-(2,3-difluoro-4-methylphenyl)cyclohex-3-en-1-yl]-2-methylcyclohexyl]ethylhydrazine

C22H32F2N2 — CID 91035898

IUPAC1-[5-[4-(2,3-difluoro-4-methylphenyl)cyclohex-3-en-1-yl]-2-methylcyclohexyl]ethylhydrazine
SMILESCc1ccc(C2=CCC(C3CCC(C)C(C(C)NN)C3)CC2)c(F)c1F
InChIInChI=1S/C22H32F2N2/c1-13-4-6-18(12-20(13)15(3)26-25)16-7-9-17(10-8-16)19-11-5-14(2)21(23)22(19)24/h5,9,11,13,15-16,18,20,26H,4,6-8,10,12,25H2,1-3H3
InChIKeyRNIWWBOPMIIDFT-UHFFFAOYSA-N
MW362.51 g/mol
LogP5.36
Rot. Bonds4

About 1-[5-[4-(2,3-difluoro-4-methylphenyl)cyclohex-3-en-1-yl]-2-methylcyclohexyl]ethylhydrazine

1-[5-[4-(2,3-difluoro-4-methylphenyl)cyclohex-3-en-1-yl]-2-methylcyclohexyl]ethylhydrazine (PubChem CID 91035898) has the molecular formula C22H32F2N2 and a molecular weight of 362.51 g/mol. Its IUPAC name is 1-[5-[4-(2,3-difluoro-4-methylphenyl)cyclohex-3-en-1-yl]-2-methylcyclohexyl]ethylhydrazine.

Molecular Properties

Compound Name1-[5-[4-(2,3-difluoro-4-methylphenyl)cyclohex-3-en-1-yl]-2-methylcyclohexyl]ethylhydrazine
PubChem CID91035898
Molecular FormulaC22H32F2N2
Molecular Weight362.51 g/mol
Exact Mass362.25
IUPAC Name1-[5-[4-(2,3-difluoro-4-methylphenyl)cyclohex-3-en-1-yl]-2-methylcyclohexyl]ethylhydrazine
SMILESCc1ccc(C2=CCC(C3CCC(C)C(C(C)NN)C3)CC2)c(F)c1F
InChIInChI=1S/C22H32F2N2/c1-13-4-6-18(12-20(13)15(3)26-25)16-7-9-17(10-8-16)19-11-5-14(2)21(23)22(19)24/h5,9,11,13,15-16,18,20,26H,4,6-8,10,12,25H2,1-3H3
InChIKeyRNIWWBOPMIIDFT-UHFFFAOYSA-N
XLogP5.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.51
LogP ≤ 55.36
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 1-[5-[4-(2,3-difluoro-4-methylphenyl)cyclohex-3-en-1-yl]-2-methylcyclohexyl]ethylhydrazine?
The IUPAC name of 1-[5-[4-(2,3-difluoro-4-methylphenyl)cyclohex-3-en-1-yl]-2-methylcyclohexyl]ethylhydrazine (CID 91035898) is 1-[5-[4-(2,3-difluoro-4-methylphenyl)cyclohex-3-en-1-yl]-2-methylcyclohexyl]ethylhydrazine.
What is the SMILES notation for 1-[5-[4-(2,3-difluoro-4-methylphenyl)cyclohex-3-en-1-yl]-2-methylcyclohexyl]ethylhydrazine?
The canonical SMILES for 1-[5-[4-(2,3-difluoro-4-methylphenyl)cyclohex-3-en-1-yl]-2-methylcyclohexyl]ethylhydrazine is Cc1ccc(C2=CCC(C3CCC(C)C(C(C)NN)C3)CC2)c(F)c1F.
What is the InChIKey of 1-[5-[4-(2,3-difluoro-4-methylphenyl)cyclohex-3-en-1-yl]-2-methylcyclohexyl]ethylhydrazine?
The InChIKey is RNIWWBOPMIIDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32F2N2/c1-13-4-6-18(12-20(13)15(3)26-25)16-7-9-17(10-8-16)19-11-5-14(2)21(23)22(19)24/h5,9,11,13,15-16,18,20,26H,4,6-8,10,12,25H2,1-3H3.
What are the key properties of 1-[5-[4-(2,3-difluoro-4-methylphenyl)cyclohex-3-en-1-yl]-2-methylcyclohexyl]ethylhydrazine?
1-[5-[4-(2,3-difluoro-4-methylphenyl)cyclohex-3-en-1-yl]-2-methylcyclohexyl]ethylhydrazine has a molecular weight of 362.51 g/mol, XLogP of 5.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(2,3-difluoro-4-methylphenyl)cyclohex-3-en-1-yl]-2-methylcyclohexyl]ethylhydrazine is sourced from PubChem (CID 91035898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).