[2-nitro-4-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]hydrazine

C10H10F5N3O3 — CID 79589871

IUPAC[2-nitro-4-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]hydrazine
SMILESNNc1ccc(COCC(F)(F)C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C10H10F5N3O3/c11-9(12,10(13,14)15)5-21-4-6-1-2-7(17-16)8(3-6)18(19)20/h1-3,17H,4-5,16H2
InChIKeyIJYJHAAZWKUSEX-UHFFFAOYSA-N
MW315.20 g/mol
LogP2.59
Rot. Bonds6

About [2-nitro-4-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]hydrazine

[2-nitro-4-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]hydrazine (PubChem CID 79589871) has the molecular formula C10H10F5N3O3 and a molecular weight of 315.20 g/mol. Its IUPAC name is [2-nitro-4-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]hydrazine.

Molecular Properties

Compound Name[2-nitro-4-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]hydrazine
PubChem CID79589871
Molecular FormulaC10H10F5N3O3
Molecular Weight315.20 g/mol
Exact Mass315.06
IUPAC Name[2-nitro-4-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]hydrazine
SMILESNNc1ccc(COCC(F)(F)C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C10H10F5N3O3/c11-9(12,10(13,14)15)5-21-4-6-1-2-7(17-16)8(3-6)18(19)20/h1-3,17H,4-5,16H2
InChIKeyIJYJHAAZWKUSEX-UHFFFAOYSA-N
XLogP2.59
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-(3,3-dimethylbutoxymethyl)-2-nitrophenyl]hydrazine
CID 66225464
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[4-(hexoxymethyl)-2-nitrophenyl]hydrazine
CID 62245077
[2-nitro-4-(2-propan-2-yloxyethoxymethyl)phenyl]hydrazine
CID 62245442
N-methyl-2-nitro-4-(2,2,3,3-tetrafluoropropoxymethyl)aniline
CID 62194898
[4-[(2,5-difluorophenoxy)methyl]-2-nitrophenyl]hydrazine
CID 63273017
[2-nitro-4-(oxan-2-ylmethoxymethyl)phenyl]hydrazine
CID 62244881
[4-[(2-chlorophenoxy)methyl]-2-nitrophenyl]hydrazine
CID 62244311
[2-nitro-4-(trifluoromethoxy)phenyl]hydrazine
CID 118835724
2-ethoxy-N-ethyl-N-[(4-hydrazinyl-3-nitrophenyl)methyl]ethanamine
CID 63690351
[4-[(4-chloro-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine
CID 62246559
[4-[(2-bromo-4-methylphenoxy)methyl]-2-nitrophenyl]hydrazine
CID 62244154

Frequently Asked Questions

What is the IUPAC name of [2-nitro-4-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]hydrazine?
The IUPAC name of [2-nitro-4-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]hydrazine (CID 79589871) is [2-nitro-4-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]hydrazine.
What is the SMILES notation for [2-nitro-4-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]hydrazine?
The canonical SMILES for [2-nitro-4-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]hydrazine is NNc1ccc(COCC(F)(F)C(F)(F)F)cc1[N+](=O)[O-].
What is the InChIKey of [2-nitro-4-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]hydrazine?
The InChIKey is IJYJHAAZWKUSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F5N3O3/c11-9(12,10(13,14)15)5-21-4-6-1-2-7(17-16)8(3-6)18(19)20/h1-3,17H,4-5,16H2.
What are the key properties of [2-nitro-4-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]hydrazine?
[2-nitro-4-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]hydrazine has a molecular weight of 315.20 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-nitro-4-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]hydrazine is sourced from PubChem (CID 79589871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).