[cyclobutyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]hydrazine

C12H14F4N2 — CID 105257667

IUPAC[cyclobutyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]hydrazine
SMILESNNC(c1cc(F)ccc1C(F)(F)F)C1CCC1
InChIInChI=1S/C12H14F4N2/c13-8-4-5-10(12(14,15)16)9(6-8)11(18-17)7-2-1-3-7/h4-7,11,18H,1-3,17H2
InChIKeyOXXDFCOTTWIFHN-UHFFFAOYSA-N
MW262.25 g/mol
LogP3.15
Rot. Bonds3

About [cyclobutyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]hydrazine

[cyclobutyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]hydrazine (PubChem CID 105257667) has the molecular formula C12H14F4N2 and a molecular weight of 262.25 g/mol. Its IUPAC name is [cyclobutyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]hydrazine.

Molecular Properties

Compound Name[cyclobutyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]hydrazine
PubChem CID105257667
Molecular FormulaC12H14F4N2
Molecular Weight262.25 g/mol
Exact Mass262.11
IUPAC Name[cyclobutyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]hydrazine
SMILESNNC(c1cc(F)ccc1C(F)(F)F)C1CCC1
InChIInChI=1S/C12H14F4N2/c13-8-4-5-10(12(14,15)16)9(6-8)11(18-17)7-2-1-3-7/h4-7,11,18H,1-3,17H2
InChIKeyOXXDFCOTTWIFHN-UHFFFAOYSA-N
XLogP3.15
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 53.15
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-cycloheptyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 82932850
(S)-cyclobutyl-[5-fluoro-2-(trifluoromethyl)phenyl]methanamine
CID 171228691
[cyclooctyl-(2,5-difluorophenyl)methyl]hydrazine
CID 105255093
2-[cyclopentyl(hydrazinyl)methyl]-4-fluoroaniline
CID 105263116
[cycloheptyl-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710352
[(2-chloro-5-fluorophenyl)-(oxan-4-yl)methyl]hydrazine
CID 105397846
[(2,4-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 105303248
(1R)-2-cyclopropyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]ethanamine
CID 171209096
[(5-fluoro-2-methylphenyl)-(oxan-4-yl)methyl]hydrazine
CID 105211548
[cyclohexyl-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105282065
4-fluoro-2-[hydrazinyl(oxan-3-yl)methyl]aniline
CID 107139674
[1-[5-fluoro-2-(trifluoromethyl)phenyl]-2-methylpropyl]hydrazine
CID 105257619

Frequently Asked Questions

What is the IUPAC name of [cyclobutyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]hydrazine?
The IUPAC name of [cyclobutyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]hydrazine (CID 105257667) is [cyclobutyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]hydrazine.
What is the SMILES notation for [cyclobutyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]hydrazine?
The canonical SMILES for [cyclobutyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]hydrazine is NNC(c1cc(F)ccc1C(F)(F)F)C1CCC1.
What is the InChIKey of [cyclobutyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]hydrazine?
The InChIKey is OXXDFCOTTWIFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2/c13-8-4-5-10(12(14,15)16)9(6-8)11(18-17)7-2-1-3-7/h4-7,11,18H,1-3,17H2.
What are the key properties of [cyclobutyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]hydrazine?
[cyclobutyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]hydrazine has a molecular weight of 262.25 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclobutyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]hydrazine is sourced from PubChem (CID 105257667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).