4-cyclopropyl-2-nitro-6-(trifluoromethyl)aniline

C10H9F3N2O2 — CID 67363236

IUPAC4-cyclopropyl-2-nitro-6-(trifluoromethyl)aniline
SMILESNc1c([N+](=O)[O-])cc(C2CC2)cc1C(F)(F)F
InChIInChI=1S/C10H9F3N2O2/c11-10(12,13)7-3-6(5-1-2-5)4-8(9(7)14)15(16)17/h3-5H,1-2,14H2
InChIKeyFYIWKZLXUCJBIX-UHFFFAOYSA-N
MW246.19 g/mol
LogP3.07
Rot. Bonds2

About 4-cyclopropyl-2-nitro-6-(trifluoromethyl)aniline

4-cyclopropyl-2-nitro-6-(trifluoromethyl)aniline (PubChem CID 67363236) has the molecular formula C10H9F3N2O2 and a molecular weight of 246.19 g/mol. Its IUPAC name is 4-cyclopropyl-2-nitro-6-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-cyclopropyl-2-nitro-6-(trifluoromethyl)aniline
PubChem CID67363236
Molecular FormulaC10H9F3N2O2
Molecular Weight246.19 g/mol
Exact Mass246.06
IUPAC Name4-cyclopropyl-2-nitro-6-(trifluoromethyl)aniline
SMILESNc1c([N+](=O)[O-])cc(C2CC2)cc1C(F)(F)F
InChIInChI=1S/C10H9F3N2O2/c11-10(12,13)7-3-6(5-1-2-5)4-8(9(7)14)15(16)17/h3-5H,1-2,14H2
InChIKeyFYIWKZLXUCJBIX-UHFFFAOYSA-N
XLogP3.07
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

trans-(1S,2S)-2-[[4-amino-3-nitro-5-(trifluoromethyl)phenyl]methylamino]cyclopentan-1-ol
CID 166556250
2-nitro-6-(trifluoromethyl)aniline
CID 10703457
3-nitro-5-(trifluoromethyl)pyridin-4-amine
CID 118811335
4-nitro-2,5-bis(trifluoromethyl)aniline
CID 121234795
2-bromo-6-nitro-3-(trifluoromethyl)aniline
CID 131372104
3-chloro-2-methyl-6-nitro-4-(trifluoromethyl)aniline
CID 89226929
4-cyclopropyl-2-methyl-6-nitrophenol
CID 12892535
4-fluoro-5-nitro-2-(trifluoromethyl)aniline
CID 131316760
4-cyclopropyl-2-nitrophenol
CID 12608020
1-chloro-4-methyl-2-nitro-5-(trifluoromethyl)benzene
CID 91757389
2-bromo-6-nitro-4-[2-(trifluoromethyl)phenyl]aniline
CID 50994279
2-hydrazinyl-4-nitro-6-(trifluoromethyl)aniline
CID 153338634

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-nitro-6-(trifluoromethyl)aniline?
The IUPAC name of 4-cyclopropyl-2-nitro-6-(trifluoromethyl)aniline (CID 67363236) is 4-cyclopropyl-2-nitro-6-(trifluoromethyl)aniline.
What is the SMILES notation for 4-cyclopropyl-2-nitro-6-(trifluoromethyl)aniline?
The canonical SMILES for 4-cyclopropyl-2-nitro-6-(trifluoromethyl)aniline is Nc1c([N+](=O)[O-])cc(C2CC2)cc1C(F)(F)F.
What is the InChIKey of 4-cyclopropyl-2-nitro-6-(trifluoromethyl)aniline?
The InChIKey is FYIWKZLXUCJBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O2/c11-10(12,13)7-3-6(5-1-2-5)4-8(9(7)14)15(16)17/h3-5H,1-2,14H2.
What are the key properties of 4-cyclopropyl-2-nitro-6-(trifluoromethyl)aniline?
4-cyclopropyl-2-nitro-6-(trifluoromethyl)aniline has a molecular weight of 246.19 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-nitro-6-(trifluoromethyl)aniline is sourced from PubChem (CID 67363236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).