4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,2,2-tetrafluoroethoxy)aniline

C11H6F11NO — CID 145258328

IUPAC4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,2,2-tetrafluoroethoxy)aniline
SMILESNc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1OC(F)(F)C(F)F
InChIInChI=1S/C11H6F11NO/c12-7(13)9(15,16)24-6-3-4(1-2-5(6)23)8(14,10(17,18)19)11(20,21)22/h1-3,7H,23H2
InChIKeyOLGFTQIPRSLVKY-UHFFFAOYSA-N
MW377.15 g/mol
LogP4.79
Rot. Bonds4

About 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,2,2-tetrafluoroethoxy)aniline

4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,2,2-tetrafluoroethoxy)aniline (PubChem CID 145258328) has the molecular formula C11H6F11NO and a molecular weight of 377.15 g/mol. Its IUPAC name is 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,2,2-tetrafluoroethoxy)aniline.

Molecular Properties

Compound Name4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,2,2-tetrafluoroethoxy)aniline
PubChem CID145258328
Molecular FormulaC11H6F11NO
Molecular Weight377.15 g/mol
Exact Mass377.03
IUPAC Name4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,2,2-tetrafluoroethoxy)aniline
SMILESNc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1OC(F)(F)C(F)F
InChIInChI=1S/C11H6F11NO/c12-7(13)9(15,16)24-6-3-4(1-2-5(6)23)8(14,10(17,18)19)11(20,21)22/h1-3,7H,23H2
InChIKeyOLGFTQIPRSLVKY-UHFFFAOYSA-N
XLogP4.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.15
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,2,2-tetrafluoroethoxy)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,2,2-tetrafluoroethoxy)aniline?
The IUPAC name of 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,2,2-tetrafluoroethoxy)aniline (CID 145258328) is 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,2,2-tetrafluoroethoxy)aniline.
What is the SMILES notation for 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,2,2-tetrafluoroethoxy)aniline?
The canonical SMILES for 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,2,2-tetrafluoroethoxy)aniline is Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1OC(F)(F)C(F)F.
What is the InChIKey of 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,2,2-tetrafluoroethoxy)aniline?
The InChIKey is OLGFTQIPRSLVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F11NO/c12-7(13)9(15,16)24-6-3-4(1-2-5(6)23)8(14,10(17,18)19)11(20,21)22/h1-3,7H,23H2.
What are the key properties of 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,2,2-tetrafluoroethoxy)aniline?
4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,2,2-tetrafluoroethoxy)aniline has a molecular weight of 377.15 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,2,2-tetrafluoroethoxy)aniline is sourced from PubChem (CID 145258328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).