[(2,2-dimethylcyclopropyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]hydrazine

C13H16F4N2 — CID 107292542

IUPAC[(2,2-dimethylcyclopropyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]hydrazine
SMILESCC1(C)CC1C(NN)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C13H16F4N2/c1-12(2)6-9(12)11(19-18)7-3-4-8(10(14)5-7)13(15,16)17/h3-5,9,11,19H,6,18H2,1-2H3
InChIKeyPDQJFQKZARUREW-UHFFFAOYSA-N
MW276.28 g/mol
LogP3.39
Rot. Bonds3

About [(2,2-dimethylcyclopropyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]hydrazine

[(2,2-dimethylcyclopropyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]hydrazine (PubChem CID 107292542) has the molecular formula C13H16F4N2 and a molecular weight of 276.28 g/mol. Its IUPAC name is [(2,2-dimethylcyclopropyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]hydrazine.

Molecular Properties

Compound Name[(2,2-dimethylcyclopropyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]hydrazine
PubChem CID107292542
Molecular FormulaC13H16F4N2
Molecular Weight276.28 g/mol
Exact Mass276.12
IUPAC Name[(2,2-dimethylcyclopropyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]hydrazine
SMILESCC1(C)CC1C(NN)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C13H16F4N2/c1-12(2)6-9(12)11(19-18)7-3-4-8(10(14)5-7)13(15,16)17/h3-5,9,11,19H,6,18H2,1-2H3
InChIKeyPDQJFQKZARUREW-UHFFFAOYSA-N
XLogP3.39
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 53.39
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

[(2,2-dimethylcyclopropyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 107005670
(R)-[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclopropyl)methanamine
CID 154991049
[(2,2-dimethylcyclopropyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 107005897
[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylcyclopropyl)methyl]hydrazine
CID 107292329
[(2,2-dimethylcyclopropyl)-(4-ethylphenyl)methyl]hydrazine
CID 107005599
[(2,2-dimethylcyclopropyl)-(2-fluoro-5-methylphenyl)methyl]hydrazine
CID 107005656
[(3-fluoro-4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
CID 105201628
1-(1,4-dioxan-2-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 107291492
[(2,2-dimethylcyclopentyl)-(3-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 107193846
[cyclohexyl-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105282065
[1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxy-3-methylbutyl]hydrazine
CID 107292433
[1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-2-methylsulfonylpropyl]hydrazine
CID 107292535

Frequently Asked Questions

What is the IUPAC name of [(2,2-dimethylcyclopropyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]hydrazine?
The IUPAC name of [(2,2-dimethylcyclopropyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]hydrazine (CID 107292542) is [(2,2-dimethylcyclopropyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]hydrazine.
What is the SMILES notation for [(2,2-dimethylcyclopropyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]hydrazine?
The canonical SMILES for [(2,2-dimethylcyclopropyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]hydrazine is CC1(C)CC1C(NN)c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of [(2,2-dimethylcyclopropyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]hydrazine?
The InChIKey is PDQJFQKZARUREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4N2/c1-12(2)6-9(12)11(19-18)7-3-4-8(10(14)5-7)13(15,16)17/h3-5,9,11,19H,6,18H2,1-2H3.
What are the key properties of [(2,2-dimethylcyclopropyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]hydrazine?
[(2,2-dimethylcyclopropyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]hydrazine has a molecular weight of 276.28 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,2-dimethylcyclopropyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]hydrazine is sourced from PubChem (CID 107292542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).