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'}

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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).