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

C13H20F2N2 — CID 105413151

IUPAC[1-(3,5-difluorophenyl)-3,4-dimethylpentan-2-yl]hydrazine
SMILESCC(C)C(C)C(Cc1cc(F)cc(F)c1)NN
InChIInChI=1S/C13H20F2N2/c1-8(2)9(3)13(17-16)6-10-4-11(14)7-12(15)5-10/h4-5,7-9,13,17H,6,16H2,1-3H3
InChIKeyPRGARNHMNWZNTI-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.63
Rot. Bonds5

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

[1-(3,5-difluorophenyl)-3,4-dimethylpentan-2-yl]hydrazine (PubChem CID 105413151) has the molecular formula C13H20F2N2 and a molecular weight of 242.31 g/mol. Its IUPAC name is [1-(3,5-difluorophenyl)-3,4-dimethylpentan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3,5-difluorophenyl)-3,4-dimethylpentan-2-yl]hydrazine
PubChem CID105413151
Molecular FormulaC13H20F2N2
Molecular Weight242.31 g/mol
Exact Mass242.16
IUPAC Name[1-(3,5-difluorophenyl)-3,4-dimethylpentan-2-yl]hydrazine
SMILESCC(C)C(C)C(Cc1cc(F)cc(F)c1)NN
InChIInChI=1S/C13H20F2N2/c1-8(2)9(3)13(17-16)6-10-4-11(14)7-12(15)5-10/h4-5,7-9,13,17H,6,16H2,1-3H3
InChIKeyPRGARNHMNWZNTI-UHFFFAOYSA-N
XLogP2.63
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.63
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-(3,5-difluorophenyl)-3-methoxybutan-2-yl]hydrazine
CID 105412950
[3,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine
CID 105293250
[1-(2,6-difluorophenyl)-3,4-dimethylpentan-2-yl]hydrazine
CID 105342903
[1-(2,3-dihydro-1H-inden-5-yl)-3,4-dimethylpentan-2-yl]hydrazine
CID 105310742
[1-cyclopropyl-3-(3,5-difluorophenyl)-1-ethoxypropan-2-yl]hydrazine
CID 105413016
4-(3,5-difluorophenyl)-3-methylbutan-2-amine
CID 105404517
1-(3,5-difluorophenyl)-N-ethyl-3-methylpentan-2-amine
CID 79444981
1-(2-chloropropyl)-3,5-difluorobenzene
CID 126973917
[1-(3-fluorophenyl)-3-methylpentan-2-yl]hydrazine
CID 105204829
2-N-[(3,5-difluorophenyl)methyl]-3-methylbutane-1,2-diamine
CID 106345506
[2-(3,5-difluorophenyl)-1-(4-methoxyphenyl)ethyl]hydrazine
CID 105206699
[1-(3,5-difluorophenyl)-4-methylpent-4-en-2-yl]hydrazine
CID 105206774

Frequently Asked Questions

What is the IUPAC name of [1-(3,5-difluorophenyl)-3,4-dimethylpentan-2-yl]hydrazine?
The IUPAC name of [1-(3,5-difluorophenyl)-3,4-dimethylpentan-2-yl]hydrazine (CID 105413151) is [1-(3,5-difluorophenyl)-3,4-dimethylpentan-2-yl]hydrazine.
What is the SMILES notation for [1-(3,5-difluorophenyl)-3,4-dimethylpentan-2-yl]hydrazine?
The canonical SMILES for [1-(3,5-difluorophenyl)-3,4-dimethylpentan-2-yl]hydrazine is CC(C)C(C)C(Cc1cc(F)cc(F)c1)NN.
What is the InChIKey of [1-(3,5-difluorophenyl)-3,4-dimethylpentan-2-yl]hydrazine?
The InChIKey is PRGARNHMNWZNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2/c1-8(2)9(3)13(17-16)6-10-4-11(14)7-12(15)5-10/h4-5,7-9,13,17H,6,16H2,1-3H3.
What are the key properties of [1-(3,5-difluorophenyl)-3,4-dimethylpentan-2-yl]hydrazine?
[1-(3,5-difluorophenyl)-3,4-dimethylpentan-2-yl]hydrazine has a molecular weight of 242.31 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-difluorophenyl)-3,4-dimethylpentan-2-yl]hydrazine is sourced from PubChem (CID 105413151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).