3-(2,2,3,3-tetrafluoropropoxymethyl)aniline

C10H11F4NO — CID 15084973

IUPAC3-(2,2,3,3-tetrafluoropropoxymethyl)aniline
SMILESNc1cccc(COCC(F)(F)C(F)F)c1
InChIInChI=1S/C10H11F4NO/c11-9(12)10(13,14)6-16-5-7-2-1-3-8(15)4-7/h1-4,9H,5-6,15H2
InChIKeyPLMQEDVNCVIZTM-UHFFFAOYSA-N
MW237.20 g/mol
LogP2.69
Rot. Bonds5

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

3-(2,2,3,3-tetrafluoropropoxymethyl)aniline (PubChem CID 15084973) has the molecular formula C10H11F4NO and a molecular weight of 237.20 g/mol. Its IUPAC name is 3-(2,2,3,3-tetrafluoropropoxymethyl)aniline.

Molecular Properties

Compound Name3-(2,2,3,3-tetrafluoropropoxymethyl)aniline
PubChem CID15084973
Molecular FormulaC10H11F4NO
Molecular Weight237.20 g/mol
Exact Mass237.08
IUPAC Name3-(2,2,3,3-tetrafluoropropoxymethyl)aniline
SMILESNc1cccc(COCC(F)(F)C(F)F)c1
InChIInChI=1S/C10H11F4NO/c11-9(12)10(13,14)6-16-5-7-2-1-3-8(15)4-7/h1-4,9H,5-6,15H2
InChIKeyPLMQEDVNCVIZTM-UHFFFAOYSA-N
XLogP2.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.20
LogP ≤ 52.69
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,3,3-tetrafluoropropoxymethyl)aniline?
The IUPAC name of 3-(2,2,3,3-tetrafluoropropoxymethyl)aniline (CID 15084973) is 3-(2,2,3,3-tetrafluoropropoxymethyl)aniline.
What is the SMILES notation for 3-(2,2,3,3-tetrafluoropropoxymethyl)aniline?
The canonical SMILES for 3-(2,2,3,3-tetrafluoropropoxymethyl)aniline is Nc1cccc(COCC(F)(F)C(F)F)c1.
What is the InChIKey of 3-(2,2,3,3-tetrafluoropropoxymethyl)aniline?
The InChIKey is PLMQEDVNCVIZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4NO/c11-9(12)10(13,14)6-16-5-7-2-1-3-8(15)4-7/h1-4,9H,5-6,15H2.
What are the key properties of 3-(2,2,3,3-tetrafluoropropoxymethyl)aniline?
3-(2,2,3,3-tetrafluoropropoxymethyl)aniline has a molecular weight of 237.20 g/mol, XLogP of 2.69, 5 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-tetrafluoropropoxymethyl)aniline is sourced from PubChem (CID 15084973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).