[1-(3,5-difluorophenyl)-4-(3-methylphenyl)butan-2-yl]hydrazine

C17H20F2N2 — CID 105413124

IUPAC[1-(3,5-difluorophenyl)-4-(3-methylphenyl)butan-2-yl]hydrazine
SMILESCc1cccc(CCC(Cc2cc(F)cc(F)c2)NN)c1
InChIInChI=1S/C17H20F2N2/c1-12-3-2-4-13(7-12)5-6-17(21-20)10-14-8-15(18)11-16(19)9-14/h2-4,7-9,11,17,21H,5-6,10,20H2,1H3
InChIKeyOPHXFWVDORSVSJ-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.28
Rot. Bonds6

About [1-(3,5-difluorophenyl)-4-(3-methylphenyl)butan-2-yl]hydrazine

[1-(3,5-difluorophenyl)-4-(3-methylphenyl)butan-2-yl]hydrazine (PubChem CID 105413124) has the molecular formula C17H20F2N2 and a molecular weight of 290.36 g/mol. Its IUPAC name is [1-(3,5-difluorophenyl)-4-(3-methylphenyl)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3,5-difluorophenyl)-4-(3-methylphenyl)butan-2-yl]hydrazine
PubChem CID105413124
Molecular FormulaC17H20F2N2
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name[1-(3,5-difluorophenyl)-4-(3-methylphenyl)butan-2-yl]hydrazine
SMILESCc1cccc(CCC(Cc2cc(F)cc(F)c2)NN)c1
InChIInChI=1S/C17H20F2N2/c1-12-3-2-4-13(7-12)5-6-17(21-20)10-14-8-15(18)11-16(19)9-14/h2-4,7-9,11,17,21H,5-6,10,20H2,1H3
InChIKeyOPHXFWVDORSVSJ-UHFFFAOYSA-N
XLogP3.28
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.28
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

[1-(5-fluoro-2-methylphenyl)-4-(3-methylphenyl)butan-2-yl]hydrazine
CID 105378069
[1-(2,3-difluorophenyl)-4-(3-methylphenyl)butan-2-yl]hydrazine
CID 105298035
[1-(2-bromo-5-fluorophenyl)-4-(3-methylphenyl)butan-2-yl]hydrazine
CID 105297114
[1-(3-methylphenyl)-5-phenylpentan-3-yl]hydrazine
CID 105285956
[1-(furan-3-yl)-4-(3-methylphenyl)butan-2-yl]hydrazine
CID 105331898
[1-(3,5-dimethylphenyl)-3-(3-methylphenyl)propan-2-yl]hydrazine
CID 105208894
[6,6-dimethyl-1-(3-methylphenyl)heptan-3-yl]hydrazine
CID 105300120
[4-(3-methylphenyl)-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine
CID 105332141
[1-(5-ethyl-2-pyridinyl)-4-(3-methylphenyl)butan-2-yl]hydrazine
CID 105324467
3-hydrazinyl-N,N-dimethyl-4-(3-methylphenyl)butan-1-amine
CID 105259182
[5,5-dimethyl-1-(3-methylphenyl)hexan-2-yl]hydrazine
CID 105208965
[1-cyclobutyl-4-(3-methylphenyl)butan-2-yl]hydrazine
CID 105310186

Frequently Asked Questions

What is the IUPAC name of [1-(3,5-difluorophenyl)-4-(3-methylphenyl)butan-2-yl]hydrazine?
The IUPAC name of [1-(3,5-difluorophenyl)-4-(3-methylphenyl)butan-2-yl]hydrazine (CID 105413124) is [1-(3,5-difluorophenyl)-4-(3-methylphenyl)butan-2-yl]hydrazine.
What is the SMILES notation for [1-(3,5-difluorophenyl)-4-(3-methylphenyl)butan-2-yl]hydrazine?
The canonical SMILES for [1-(3,5-difluorophenyl)-4-(3-methylphenyl)butan-2-yl]hydrazine is Cc1cccc(CCC(Cc2cc(F)cc(F)c2)NN)c1.
What is the InChIKey of [1-(3,5-difluorophenyl)-4-(3-methylphenyl)butan-2-yl]hydrazine?
The InChIKey is OPHXFWVDORSVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2/c1-12-3-2-4-13(7-12)5-6-17(21-20)10-14-8-15(18)11-16(19)9-14/h2-4,7-9,11,17,21H,5-6,10,20H2,1H3.
What are the key properties of [1-(3,5-difluorophenyl)-4-(3-methylphenyl)butan-2-yl]hydrazine?
[1-(3,5-difluorophenyl)-4-(3-methylphenyl)butan-2-yl]hydrazine has a molecular weight of 290.36 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-difluorophenyl)-4-(3-methylphenyl)butan-2-yl]hydrazine is sourced from PubChem (CID 105413124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).