[cyclobutyl-[3-(trifluoromethyl)phenyl]methyl]hydrazine

C12H15F3N2 — CID 105193958

IUPAC[cyclobutyl-[3-(trifluoromethyl)phenyl]methyl]hydrazine
SMILESNNC(c1cccc(C(F)(F)F)c1)C1CCC1
InChIInChI=1S/C12H15F3N2/c13-12(14,15)10-6-2-5-9(7-10)11(17-16)8-3-1-4-8/h2,5-8,11,17H,1,3-4,16H2
InChIKeyZQVVPLCEZYSWCB-UHFFFAOYSA-N
MW244.26 g/mol
LogP3.01
Rot. Bonds3

About [cyclobutyl-[3-(trifluoromethyl)phenyl]methyl]hydrazine

[cyclobutyl-[3-(trifluoromethyl)phenyl]methyl]hydrazine (PubChem CID 105193958) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is [cyclobutyl-[3-(trifluoromethyl)phenyl]methyl]hydrazine.

Molecular Properties

Compound Name[cyclobutyl-[3-(trifluoromethyl)phenyl]methyl]hydrazine
PubChem CID105193958
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Name[cyclobutyl-[3-(trifluoromethyl)phenyl]methyl]hydrazine
SMILESNNC(c1cccc(C(F)(F)F)c1)C1CCC1
InChIInChI=1S/C12H15F3N2/c13-12(14,15)10-6-2-5-9(7-10)11(17-16)8-3-1-4-8/h2,5-8,11,17H,1,3-4,16H2
InChIKeyZQVVPLCEZYSWCB-UHFFFAOYSA-N
XLogP3.01
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 53.01
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

[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105193820
1-cycloheptyl-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 65399168
(R)-cyclobutyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171206809
cyclobutyl-[3-(trifluoromethyl)phenyl]methanol
CID 64986539
[1,4-diazabicyclo[2.2.2]octan-2-yl-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105250081
(S)-cyclopropyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 112756156
[cyclohexyl-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105282065
[(1,4-dimethylpiperazin-2-yl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105247407
[(5,6-dimethyl-1,4-dithian-2-yl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 103347136
[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 53402398
(1S)-1-cyclohexyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]ethanamine
CID 81390965
[cycloheptyl-[3-(difluoromethoxy)phenyl]methyl]hydrazine
CID 105330629

Frequently Asked Questions

What is the IUPAC name of [cyclobutyl-[3-(trifluoromethyl)phenyl]methyl]hydrazine?
The IUPAC name of [cyclobutyl-[3-(trifluoromethyl)phenyl]methyl]hydrazine (CID 105193958) is [cyclobutyl-[3-(trifluoromethyl)phenyl]methyl]hydrazine.
What is the SMILES notation for [cyclobutyl-[3-(trifluoromethyl)phenyl]methyl]hydrazine?
The canonical SMILES for [cyclobutyl-[3-(trifluoromethyl)phenyl]methyl]hydrazine is NNC(c1cccc(C(F)(F)F)c1)C1CCC1.
What is the InChIKey of [cyclobutyl-[3-(trifluoromethyl)phenyl]methyl]hydrazine?
The InChIKey is ZQVVPLCEZYSWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2/c13-12(14,15)10-6-2-5-9(7-10)11(17-16)8-3-1-4-8/h2,5-8,11,17H,1,3-4,16H2.
What are the key properties of [cyclobutyl-[3-(trifluoromethyl)phenyl]methyl]hydrazine?
[cyclobutyl-[3-(trifluoromethyl)phenyl]methyl]hydrazine has a molecular weight of 244.26 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclobutyl-[3-(trifluoromethyl)phenyl]methyl]hydrazine is sourced from PubChem (CID 105193958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).