3-hydrazinyl-N-methyl-2-nitro-N-(3,3,3-trifluoropropyl)aniline

C10H13F3N4O2 — CID 80925776

IUPAC3-hydrazinyl-N-methyl-2-nitro-N-(3,3,3-trifluoropropyl)aniline
SMILESCN(CCC(F)(F)F)c1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C10H13F3N4O2/c1-16(6-5-10(11,12)13)8-4-2-3-7(15-14)9(8)17(18)19/h2-4,15H,5-6,14H2,1H3
InChIKeyDNMPJHWMKMEOFV-UHFFFAOYSA-N
MW278.23 g/mol
LogP2.27
Rot. Bonds5

About 3-hydrazinyl-N-methyl-2-nitro-N-(3,3,3-trifluoropropyl)aniline

3-hydrazinyl-N-methyl-2-nitro-N-(3,3,3-trifluoropropyl)aniline (PubChem CID 80925776) has the molecular formula C10H13F3N4O2 and a molecular weight of 278.23 g/mol. Its IUPAC name is 3-hydrazinyl-N-methyl-2-nitro-N-(3,3,3-trifluoropropyl)aniline.

Molecular Properties

Compound Name3-hydrazinyl-N-methyl-2-nitro-N-(3,3,3-trifluoropropyl)aniline
PubChem CID80925776
Molecular FormulaC10H13F3N4O2
Molecular Weight278.23 g/mol
Exact Mass278.10
IUPAC Name3-hydrazinyl-N-methyl-2-nitro-N-(3,3,3-trifluoropropyl)aniline
SMILESCN(CCC(F)(F)F)c1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C10H13F3N4O2/c1-16(6-5-10(11,12)13)8-4-2-3-7(15-14)9(8)17(18)19/h2-4,15H,5-6,14H2,1H3
InChIKeyDNMPJHWMKMEOFV-UHFFFAOYSA-N
XLogP2.27
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 52.27
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'}

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Related Compounds

3-hydrazinyl-N-methyl-2-nitro-N-(2,2,2-trifluoroethyl)aniline
CID 80899062
3-hydrazinyl-N-methyl-2-nitro-N-pentylaniline
CID 80895010
3-hydrazinyl-N-methyl-2-nitro-N-(2-phenylethyl)aniline
CID 80924180
3-(3-hydrazinyl-N-methyl-2-nitroanilino)-N-methylpropanamide
CID 106918774
3-hydrazinyl-N-methyl-2-nitro-N-(2-pyridin-4-ylethyl)aniline
CID 80899610
3-hydrazinyl-N-methyl-N-[(4-methylphenyl)methyl]-2-nitroaniline
CID 80913076
N-(cyclobutylmethyl)-3-hydrazinyl-N-methyl-2-nitroaniline
CID 80918855
N-(cyclohexylmethyl)-3-hydrazinyl-N-methyl-2-nitroaniline
CID 80895882
2-(3-hydrazinyl-N-methyl-2-nitroanilino)-N-propan-2-ylacetamide
CID 80900074
2-[3-(ethylamino)-N-methyl-2-nitroanilino]ethanol
CID 80771729
3-hydrazinyl-2-nitro-N-(3,3,3-trifluoropropyl)benzamide
CID 115549606
3-N-ethyl-1-N,3-N-dimethyl-2-nitrobenzene-1,3-diamine
CID 80774350

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-N-methyl-2-nitro-N-(3,3,3-trifluoropropyl)aniline?
The IUPAC name of 3-hydrazinyl-N-methyl-2-nitro-N-(3,3,3-trifluoropropyl)aniline (CID 80925776) is 3-hydrazinyl-N-methyl-2-nitro-N-(3,3,3-trifluoropropyl)aniline.
What is the SMILES notation for 3-hydrazinyl-N-methyl-2-nitro-N-(3,3,3-trifluoropropyl)aniline?
The canonical SMILES for 3-hydrazinyl-N-methyl-2-nitro-N-(3,3,3-trifluoropropyl)aniline is CN(CCC(F)(F)F)c1cccc(NN)c1[N+](=O)[O-].
What is the InChIKey of 3-hydrazinyl-N-methyl-2-nitro-N-(3,3,3-trifluoropropyl)aniline?
The InChIKey is DNMPJHWMKMEOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O2/c1-16(6-5-10(11,12)13)8-4-2-3-7(15-14)9(8)17(18)19/h2-4,15H,5-6,14H2,1H3.
What are the key properties of 3-hydrazinyl-N-methyl-2-nitro-N-(3,3,3-trifluoropropyl)aniline?
3-hydrazinyl-N-methyl-2-nitro-N-(3,3,3-trifluoropropyl)aniline has a molecular weight of 278.23 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-N-methyl-2-nitro-N-(3,3,3-trifluoropropyl)aniline is sourced from PubChem (CID 80925776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).