[1-(1-methylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine

C13H17F3N2 — CID 105253379

IUPAC[1-(1-methylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
SMILESCC1(C(Cc2cccc(C(F)(F)F)c2)NN)CC1
InChIInChI=1S/C13H17F3N2/c1-12(5-6-12)11(18-17)8-9-3-2-4-10(7-9)13(14,15)16/h2-4,7,11,18H,5-6,8,17H2,1H3
InChIKeyMCKZBBRTAWUPQS-UHFFFAOYSA-N
MW258.29 g/mol
LogP2.88
Rot. Bonds4

About [1-(1-methylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine

[1-(1-methylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine (PubChem CID 105253379) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is [1-(1-methylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine.

Molecular Properties

Compound Name[1-(1-methylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
PubChem CID105253379
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC Name[1-(1-methylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
SMILESCC1(C(Cc2cccc(C(F)(F)F)c2)NN)CC1
InChIInChI=1S/C13H17F3N2/c1-12(5-6-12)11(18-17)8-9-3-2-4-10(7-9)13(14,15)16/h2-4,7,11,18H,5-6,8,17H2,1H3
InChIKeyMCKZBBRTAWUPQS-UHFFFAOYSA-N
XLogP2.88
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 52.88
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-(2-methylthiolan-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105293256
[1-(1-methoxycyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105268693
[1-methoxy-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine
CID 105207214
[3,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine
CID 105293250
[2-(3-methoxyphenyl)-1-(1-methylcyclopentyl)ethyl]hydrazine
CID 105295319
[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium
CID 38988975
[1-(3-bicyclo[3.1.0]hexanyl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105293227
[1-(1-methylcyclopropyl)-2-(4-methylphenyl)ethyl]hydrazine
CID 105253480
[4-(2,2-difluoroethoxy)-1-[3-(trifluoromethyl)phenyl]butan-2-yl]hydrazine
CID 103151932
[1-(2-methoxyethoxy)-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine
CID 114033159
[1-(1-methylcyclopropyl)-2-pyridin-4-ylethyl]hydrazine
CID 105253502
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 55095731

Frequently Asked Questions

What is the IUPAC name of [1-(1-methylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine?
The IUPAC name of [1-(1-methylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine (CID 105253379) is [1-(1-methylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine.
What is the SMILES notation for [1-(1-methylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine?
The canonical SMILES for [1-(1-methylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine is CC1(C(Cc2cccc(C(F)(F)F)c2)NN)CC1.
What is the InChIKey of [1-(1-methylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine?
The InChIKey is MCKZBBRTAWUPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2/c1-12(5-6-12)11(18-17)8-9-3-2-4-10(7-9)13(14,15)16/h2-4,7,11,18H,5-6,8,17H2,1H3.
What are the key properties of [1-(1-methylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine?
[1-(1-methylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine has a molecular weight of 258.29 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-methylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine is sourced from PubChem (CID 105253379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).