2-nitro-N-(2,2,3,3-tetrafluoropropyl)-4-(trifluoromethyl)aniline

C10H7F7N2O2 — CID 106293843

IUPAC2-nitro-N-(2,2,3,3-tetrafluoropropyl)-4-(trifluoromethyl)aniline
SMILESO=[N+]([O-])c1cc(C(F)(F)F)ccc1NCC(F)(F)C(F)F
InChIInChI=1S/C10H7F7N2O2/c11-8(12)9(13,14)4-18-6-2-1-5(10(15,16)17)3-7(6)19(20)21/h1-3,8,18H,4H2
InChIKeyNFHPGOKUDQKGKO-UHFFFAOYSA-N
MW320.16 g/mol
LogP3.93
Rot. Bonds5

About 2-nitro-N-(2,2,3,3-tetrafluoropropyl)-4-(trifluoromethyl)aniline

2-nitro-N-(2,2,3,3-tetrafluoropropyl)-4-(trifluoromethyl)aniline (PubChem CID 106293843) has the molecular formula C10H7F7N2O2 and a molecular weight of 320.16 g/mol. Its IUPAC name is 2-nitro-N-(2,2,3,3-tetrafluoropropyl)-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-nitro-N-(2,2,3,3-tetrafluoropropyl)-4-(trifluoromethyl)aniline
PubChem CID106293843
Molecular FormulaC10H7F7N2O2
Molecular Weight320.16 g/mol
Exact Mass320.04
IUPAC Name2-nitro-N-(2,2,3,3-tetrafluoropropyl)-4-(trifluoromethyl)aniline
SMILESO=[N+]([O-])c1cc(C(F)(F)F)ccc1NCC(F)(F)C(F)F
InChIInChI=1S/C10H7F7N2O2/c11-8(12)9(13,14)4-18-6-2-1-5(10(15,16)17)3-7(6)19(20)21/h1-3,8,18H,4H2
InChIKeyNFHPGOKUDQKGKO-UHFFFAOYSA-N
XLogP3.93
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.16
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

3-nitro-4-(2,2,3,3-tetrafluoropropylamino)benzonitrile
CID 106293770
N-butyl-2-nitro-4-(trifluoromethyl)aniline
CID 15785099
N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]methanesulfonamide
CID 2924955
1-[2-nitro-4-(trifluoromethyl)anilino]pentan-3-ol
CID 115702027
methyl 2-[2-nitro-4-(trifluoromethyl)anilino]acetate
CID 2914645
N-heptyl-2-nitro-4-(trifluoromethyl)aniline
CID 43805027
N-decyl-2-nitro-4-(trifluoromethyl)aniline
CID 162019494
3-methyl-4-[2-nitro-4-(trifluoromethyl)anilino]butan-1-ol
CID 66106895
N-ethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 61020235
2-nitro-N-pent-3-ynyl-4-(trifluoromethyl)aniline
CID 115978092
tert-butyl N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]carbamate
CID 2795746
2-methyl-4-[2-nitro-4-(trifluoromethyl)anilino]butanoic acid
CID 80537740

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-(2,2,3,3-tetrafluoropropyl)-4-(trifluoromethyl)aniline?
The IUPAC name of 2-nitro-N-(2,2,3,3-tetrafluoropropyl)-4-(trifluoromethyl)aniline (CID 106293843) is 2-nitro-N-(2,2,3,3-tetrafluoropropyl)-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2-nitro-N-(2,2,3,3-tetrafluoropropyl)-4-(trifluoromethyl)aniline?
The canonical SMILES for 2-nitro-N-(2,2,3,3-tetrafluoropropyl)-4-(trifluoromethyl)aniline is O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCC(F)(F)C(F)F.
What is the InChIKey of 2-nitro-N-(2,2,3,3-tetrafluoropropyl)-4-(trifluoromethyl)aniline?
The InChIKey is NFHPGOKUDQKGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F7N2O2/c11-8(12)9(13,14)4-18-6-2-1-5(10(15,16)17)3-7(6)19(20)21/h1-3,8,18H,4H2.
What are the key properties of 2-nitro-N-(2,2,3,3-tetrafluoropropyl)-4-(trifluoromethyl)aniline?
2-nitro-N-(2,2,3,3-tetrafluoropropyl)-4-(trifluoromethyl)aniline has a molecular weight of 320.16 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-(2,2,3,3-tetrafluoropropyl)-4-(trifluoromethyl)aniline is sourced from PubChem (CID 106293843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).