N-(1-ethoxy-2,2,2-trifluoroethyl)aniline

C10H12F3NO — CID 12990236

IUPACN-(1-ethoxy-2,2,2-trifluoroethyl)aniline
SMILESCCOC(Nc1ccccc1)C(F)(F)F
InChIInChI=1S/C10H12F3NO/c1-2-15-9(10(11,12)13)14-8-6-4-3-5-7-8/h3-7,9,14H,2H2,1H3
InChIKeyOFYKVJNVMFXXIU-UHFFFAOYSA-N
MW219.21 g/mol
LogP3.02
Rot. Bonds4

About N-(1-ethoxy-2,2,2-trifluoroethyl)aniline

N-(1-ethoxy-2,2,2-trifluoroethyl)aniline (PubChem CID 12990236) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is N-(1-ethoxy-2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound NameN-(1-ethoxy-2,2,2-trifluoroethyl)aniline
PubChem CID12990236
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC NameN-(1-ethoxy-2,2,2-trifluoroethyl)aniline
SMILESCCOC(Nc1ccccc1)C(F)(F)F
InChIInChI=1S/C10H12F3NO/c1-2-15-9(10(11,12)13)14-8-6-4-3-5-7-8/h3-7,9,14H,2H2,1H3
InChIKeyOFYKVJNVMFXXIU-UHFFFAOYSA-N
XLogP3.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxy-2,2,2-trifluoroethyl)aniline?
The IUPAC name of N-(1-ethoxy-2,2,2-trifluoroethyl)aniline (CID 12990236) is N-(1-ethoxy-2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for N-(1-ethoxy-2,2,2-trifluoroethyl)aniline?
The canonical SMILES for N-(1-ethoxy-2,2,2-trifluoroethyl)aniline is CCOC(Nc1ccccc1)C(F)(F)F.
What is the InChIKey of N-(1-ethoxy-2,2,2-trifluoroethyl)aniline?
The InChIKey is OFYKVJNVMFXXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-2-15-9(10(11,12)13)14-8-6-4-3-5-7-8/h3-7,9,14H,2H2,1H3.
What are the key properties of N-(1-ethoxy-2,2,2-trifluoroethyl)aniline?
N-(1-ethoxy-2,2,2-trifluoroethyl)aniline has a molecular weight of 219.21 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxy-2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 12990236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).