[1-(7-bicyclo[4.1.0]heptanyl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine

C16H21F3N2 — CID 105299705

IUPAC[1-(7-bicyclo[4.1.0]heptanyl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine
SMILESNNC(Cc1ccc(C(F)(F)F)cc1)C1C2CCCCC21
InChIInChI=1S/C16H21F3N2/c17-16(18,19)11-7-5-10(6-8-11)9-14(21-20)15-12-3-1-2-4-13(12)15/h5-8,12-15,21H,1-4,9,20H2
InChIKeyKFHSUYDUYNPOOT-UHFFFAOYSA-N
MW298.35 g/mol
LogP3.52
Rot. Bonds4

About [1-(7-bicyclo[4.1.0]heptanyl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine

[1-(7-bicyclo[4.1.0]heptanyl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine (PubChem CID 105299705) has the molecular formula C16H21F3N2 and a molecular weight of 298.35 g/mol. Its IUPAC name is [1-(7-bicyclo[4.1.0]heptanyl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine.

Molecular Properties

Compound Name[1-(7-bicyclo[4.1.0]heptanyl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine
PubChem CID105299705
Molecular FormulaC16H21F3N2
Molecular Weight298.35 g/mol
Exact Mass298.17
IUPAC Name[1-(7-bicyclo[4.1.0]heptanyl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine
SMILESNNC(Cc1ccc(C(F)(F)F)cc1)C1C2CCCCC21
InChIInChI=1S/C16H21F3N2/c17-16(18,19)11-7-5-10(6-8-11)9-14(21-20)15-12-3-1-2-4-13(12)15/h5-8,12-15,21H,1-4,9,20H2
InChIKeyKFHSUYDUYNPOOT-UHFFFAOYSA-N
XLogP3.52
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 53.52
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-(7-bicyclo[4.1.0]heptanyl)-2-(4-methylphenyl)ethyl]hydrazine
CID 105284285
[1-(thiolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105255478
[1-(3-bicyclo[3.1.0]hexanyl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105299679
[7-bicyclo[4.1.0]heptanyl-[4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105302349
[1-(6-bicyclo[3.1.0]hexanyl)-2-(3,5-difluorophenyl)ethyl]hydrazine
CID 105413133
[2-(4-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethyl]hydrazine
CID 105283838
1-cyclobutyl-N-ethyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 55040821
4-cyclopentyl-N-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-amine
CID 63528992
N-methyl-1-(oxan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 115849284
1-cyclopentyl-2-[4-(trifluoromethyl)phenyl]ethanol
CID 62607269
1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 63520008
[1-(7-bicyclo[4.1.0]heptanyl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 105295382

Frequently Asked Questions

What is the IUPAC name of [1-(7-bicyclo[4.1.0]heptanyl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine?
The IUPAC name of [1-(7-bicyclo[4.1.0]heptanyl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine (CID 105299705) is [1-(7-bicyclo[4.1.0]heptanyl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine.
What is the SMILES notation for [1-(7-bicyclo[4.1.0]heptanyl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine?
The canonical SMILES for [1-(7-bicyclo[4.1.0]heptanyl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine is NNC(Cc1ccc(C(F)(F)F)cc1)C1C2CCCCC21.
What is the InChIKey of [1-(7-bicyclo[4.1.0]heptanyl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine?
The InChIKey is KFHSUYDUYNPOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2/c17-16(18,19)11-7-5-10(6-8-11)9-14(21-20)15-12-3-1-2-4-13(12)15/h5-8,12-15,21H,1-4,9,20H2.
What are the key properties of [1-(7-bicyclo[4.1.0]heptanyl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine?
[1-(7-bicyclo[4.1.0]heptanyl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine has a molecular weight of 298.35 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-bicyclo[4.1.0]heptanyl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine is sourced from PubChem (CID 105299705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).