3-(2,2,3,3,3-pentafluoropropoxymethyl)aniline

C10H10F5NO — CID 15084974

IUPAC3-(2,2,3,3,3-pentafluoropropoxymethyl)aniline
SMILESNc1cccc(COCC(F)(F)C(F)(F)F)c1
InChIInChI=1S/C10H10F5NO/c11-9(12,10(13,14)15)6-17-5-7-2-1-3-8(16)4-7/h1-4H,5-6,16H2
InChIKeyVGVWNPCCEYJESM-UHFFFAOYSA-N
MW255.19 g/mol
LogP2.98
Rot. Bonds4

About 3-(2,2,3,3,3-pentafluoropropoxymethyl)aniline

3-(2,2,3,3,3-pentafluoropropoxymethyl)aniline (PubChem CID 15084974) has the molecular formula C10H10F5NO and a molecular weight of 255.19 g/mol. Its IUPAC name is 3-(2,2,3,3,3-pentafluoropropoxymethyl)aniline.

Molecular Properties

Compound Name3-(2,2,3,3,3-pentafluoropropoxymethyl)aniline
PubChem CID15084974
Molecular FormulaC10H10F5NO
Molecular Weight255.19 g/mol
Exact Mass255.07
IUPAC Name3-(2,2,3,3,3-pentafluoropropoxymethyl)aniline
SMILESNc1cccc(COCC(F)(F)C(F)(F)F)c1
InChIInChI=1S/C10H10F5NO/c11-9(12,10(13,14)15)6-17-5-7-2-1-3-8(16)4-7/h1-4H,5-6,16H2
InChIKeyVGVWNPCCEYJESM-UHFFFAOYSA-N
XLogP2.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.19
LogP ≤ 52.98
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 3-(2,2,3,3,3-pentafluoropropoxymethyl)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 3-(2,2,3,3,3-pentafluoropropoxymethyl)aniline?
The IUPAC name of 3-(2,2,3,3,3-pentafluoropropoxymethyl)aniline (CID 15084974) is 3-(2,2,3,3,3-pentafluoropropoxymethyl)aniline.
What is the SMILES notation for 3-(2,2,3,3,3-pentafluoropropoxymethyl)aniline?
The canonical SMILES for 3-(2,2,3,3,3-pentafluoropropoxymethyl)aniline is Nc1cccc(COCC(F)(F)C(F)(F)F)c1.
What is the InChIKey of 3-(2,2,3,3,3-pentafluoropropoxymethyl)aniline?
The InChIKey is VGVWNPCCEYJESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F5NO/c11-9(12,10(13,14)15)6-17-5-7-2-1-3-8(16)4-7/h1-4H,5-6,16H2.
What are the key properties of 3-(2,2,3,3,3-pentafluoropropoxymethyl)aniline?
3-(2,2,3,3,3-pentafluoropropoxymethyl)aniline has a molecular weight of 255.19 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,3,3,3-pentafluoropropoxymethyl)aniline is sourced from PubChem (CID 15084974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).