2,2-bis[4-(trifluoromethoxy)phenyl]cyclopropane-1-carbohydrazide

C18H14F6N2O3 — CID 163323833

IUPAC2,2-bis[4-(trifluoromethoxy)phenyl]cyclopropane-1-carbohydrazide
SMILESNNC(=O)C1CC1(c1ccc(OC(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H14F6N2O3/c19-17(20,21)28-12-5-1-10(2-6-12)16(9-14(16)15(27)26-25)11-3-7-13(8-4-11)29-18(22,23)24/h1-8,14H,9,25H2,(H,26,27)
InChIKeyYHNJBSNUMROQQE-UHFFFAOYSA-N
MW420.31 g/mol
LogP3.78
Rot. Bonds5

About 2,2-bis[4-(trifluoromethoxy)phenyl]cyclopropane-1-carbohydrazide

2,2-bis[4-(trifluoromethoxy)phenyl]cyclopropane-1-carbohydrazide (PubChem CID 163323833) has the molecular formula C18H14F6N2O3 and a molecular weight of 420.31 g/mol. Its IUPAC name is 2,2-bis[4-(trifluoromethoxy)phenyl]cyclopropane-1-carbohydrazide.

Molecular Properties

Compound Name2,2-bis[4-(trifluoromethoxy)phenyl]cyclopropane-1-carbohydrazide
PubChem CID163323833
Molecular FormulaC18H14F6N2O3
Molecular Weight420.31 g/mol
Exact Mass420.09
IUPAC Name2,2-bis[4-(trifluoromethoxy)phenyl]cyclopropane-1-carbohydrazide
SMILESNNC(=O)C1CC1(c1ccc(OC(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H14F6N2O3/c19-17(20,21)28-12-5-1-10(2-6-12)16(9-14(16)15(27)26-25)11-3-7-13(8-4-11)29-18(22,23)24/h1-8,14H,9,25H2,(H,26,27)
InChIKeyYHNJBSNUMROQQE-UHFFFAOYSA-N
XLogP3.78
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.31
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,2-bis[4-(trifluoromethoxy)phenyl]cyclopropane-1-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(trifluoromethoxy)phenyl] N-aminocarbamate
CID 143175748
ethane;4-(trifluoromethoxy)benzohydrazide
CID 144580536
2-[4-(trifluoromethoxy)phenoxy]acetohydrazide
CID 2777305
1-[4-(trifluoromethoxy)phenyl]cyclopropan-1-ol
CID 130058643
(1S)-N-(4-methoxyphenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide
CID 2260163
N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-4-(trifluoromethoxy)benzamide
CID 95986148
[4-(trifluoromethoxy)phenyl]urea
CID 2779224
(E)-3-amino-2-hydrazinyl-3-[4-(trifluoromethoxy)phenoxy]prop-2-enoic acid
CID 142618625
ethyl 2-oxo-5-(trifluoromethoxy)spiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
CID 71200919
(E)-3-amino-3-[4-cyano-4-[4-(trifluoromethoxy)phenyl]cyclohexyl]oxy-2-hydrazinylprop-2-enoic acid
CID 142617885
aminosulfanyl 2-(hydroxymethyl)-4-[(1R)-1-[[(1R,2R)-2-methyl-2-[4-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]ethyl]benzoate
CID 88965237
N-cyclohexyl-4-(trifluoromethoxy)benzamide
CID 53243010

Frequently Asked Questions

What is the IUPAC name of 2,2-bis[4-(trifluoromethoxy)phenyl]cyclopropane-1-carbohydrazide?
The IUPAC name of 2,2-bis[4-(trifluoromethoxy)phenyl]cyclopropane-1-carbohydrazide (CID 163323833) is 2,2-bis[4-(trifluoromethoxy)phenyl]cyclopropane-1-carbohydrazide.
What is the SMILES notation for 2,2-bis[4-(trifluoromethoxy)phenyl]cyclopropane-1-carbohydrazide?
The canonical SMILES for 2,2-bis[4-(trifluoromethoxy)phenyl]cyclopropane-1-carbohydrazide is NNC(=O)C1CC1(c1ccc(OC(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2,2-bis[4-(trifluoromethoxy)phenyl]cyclopropane-1-carbohydrazide?
The InChIKey is YHNJBSNUMROQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F6N2O3/c19-17(20,21)28-12-5-1-10(2-6-12)16(9-14(16)15(27)26-25)11-3-7-13(8-4-11)29-18(22,23)24/h1-8,14H,9,25H2,(H,26,27).
What are the key properties of 2,2-bis[4-(trifluoromethoxy)phenyl]cyclopropane-1-carbohydrazide?
2,2-bis[4-(trifluoromethoxy)phenyl]cyclopropane-1-carbohydrazide has a molecular weight of 420.31 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis[4-(trifluoromethoxy)phenyl]cyclopropane-1-carbohydrazide is sourced from PubChem (CID 163323833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).