N'-[2-nitro-4-(trifluoromethyl)phenyl]furan-3-carbohydrazide

C12H8F3N3O4 — CID 29409858

IUPACN'-[2-nitro-4-(trifluoromethyl)phenyl]furan-3-carbohydrazide
SMILESO=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccoc1
InChIInChI=1S/C12H8F3N3O4/c13-12(14,15)8-1-2-9(10(5-8)18(20)21)16-17-11(19)7-3-4-22-6-7/h1-6,16H,(H,17,19)
InChIKeyBTSBYGBVQQRSKV-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.96
Rot. Bonds4

About N'-[2-nitro-4-(trifluoromethyl)phenyl]furan-3-carbohydrazide

N'-[2-nitro-4-(trifluoromethyl)phenyl]furan-3-carbohydrazide (PubChem CID 29409858) has the molecular formula C12H8F3N3O4 and a molecular weight of 315.21 g/mol. Its IUPAC name is N'-[2-nitro-4-(trifluoromethyl)phenyl]furan-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-nitro-4-(trifluoromethyl)phenyl]furan-3-carbohydrazide
PubChem CID29409858
Molecular FormulaC12H8F3N3O4
Molecular Weight315.21 g/mol
Exact Mass315.05
IUPAC NameN'-[2-nitro-4-(trifluoromethyl)phenyl]furan-3-carbohydrazide
SMILESO=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccoc1
InChIInChI=1S/C12H8F3N3O4/c13-12(14,15)8-1-2-9(10(5-8)18(20)21)16-17-11(19)7-3-4-22-6-7/h1-6,16H,(H,17,19)
InChIKeyBTSBYGBVQQRSKV-UHFFFAOYSA-N
XLogP2.96
TPSA97.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-nitro-4-(trifluoromethyl)phenyl]-4-propan-2-ylbenzohydrazide
CID 29409169
2-nitro-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
CID 29409066
3,4-dimethoxy-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
CID 29409295
2,5-dimethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]furan-3-carbohydrazide
CID 29409438
N-[2-methyl-5-[[2-nitro-4-(trifluoromethyl)anilino]carbamoyl]phenyl]furan-2-carboxamide
CID 29409356
4-(benzimidazol-1-yl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
CID 29409619
5-fluoro-2-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
CID 29410018
3-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide
CID 29409132
N'-[2-nitro-4-(trifluoromethyl)phenyl]oxane-4-carbohydrazide
CID 51192645
2-(furan-3-carbonylamino)-5-(trifluoromethyl)benzoic acid
CID 66269172
N'-[2-nitro-4-(trifluoromethyl)phenyl]-1-benzothiophene-2-carbohydrazide
CID 29409626
N'-[2-nitro-4-(trifluoromethyl)phenyl]quinoline-2-carbohydrazide
CID 29409127

Frequently Asked Questions

What is the IUPAC name of N'-[2-nitro-4-(trifluoromethyl)phenyl]furan-3-carbohydrazide?
The IUPAC name of N'-[2-nitro-4-(trifluoromethyl)phenyl]furan-3-carbohydrazide (CID 29409858) is N'-[2-nitro-4-(trifluoromethyl)phenyl]furan-3-carbohydrazide.
What is the SMILES notation for N'-[2-nitro-4-(trifluoromethyl)phenyl]furan-3-carbohydrazide?
The canonical SMILES for N'-[2-nitro-4-(trifluoromethyl)phenyl]furan-3-carbohydrazide is O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccoc1.
What is the InChIKey of N'-[2-nitro-4-(trifluoromethyl)phenyl]furan-3-carbohydrazide?
The InChIKey is BTSBYGBVQQRSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N3O4/c13-12(14,15)8-1-2-9(10(5-8)18(20)21)16-17-11(19)7-3-4-22-6-7/h1-6,16H,(H,17,19).
What are the key properties of N'-[2-nitro-4-(trifluoromethyl)phenyl]furan-3-carbohydrazide?
N'-[2-nitro-4-(trifluoromethyl)phenyl]furan-3-carbohydrazide has a molecular weight of 315.21 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-nitro-4-(trifluoromethyl)phenyl]furan-3-carbohydrazide is sourced from PubChem (CID 29409858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).