3-[1-(1,1,1-trifluoropropan-2-yloxy)ethyl]aniline

C11H14F3NO — CID 66275415

IUPAC3-[1-(1,1,1-trifluoropropan-2-yloxy)ethyl]aniline
SMILESCC(OC(C)C(F)(F)F)c1cccc(N)c1
InChIInChI=1S/C11H14F3NO/c1-7(16-8(2)11(12,13)14)9-4-3-5-10(15)6-9/h3-8H,15H2,1-2H3
InChIKeyNUCSDLGFOSUSLA-UHFFFAOYSA-N
MW233.23 g/mol
LogP3.30
Rot. Bonds3

About 3-[1-(1,1,1-trifluoropropan-2-yloxy)ethyl]aniline

3-[1-(1,1,1-trifluoropropan-2-yloxy)ethyl]aniline (PubChem CID 66275415) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 3-[1-(1,1,1-trifluoropropan-2-yloxy)ethyl]aniline.

Molecular Properties

Compound Name3-[1-(1,1,1-trifluoropropan-2-yloxy)ethyl]aniline
PubChem CID66275415
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name3-[1-(1,1,1-trifluoropropan-2-yloxy)ethyl]aniline
SMILESCC(OC(C)C(F)(F)F)c1cccc(N)c1
InChIInChI=1S/C11H14F3NO/c1-7(16-8(2)11(12,13)14)9-4-3-5-10(15)6-9/h3-8H,15H2,1-2H3
InChIKeyNUCSDLGFOSUSLA-UHFFFAOYSA-N
XLogP3.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2,2,2-trifluoro-1-methoxyethyl)aniline
CID 68987189
3-(1,2,2,2-tetrafluoroethyl)aniline
CID 83854117
3-(1-amino-2,2,2-trifluoroethyl)aniline
CID 55273208
3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]aniline
CID 89088484
3-[1-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]aniline
CID 102746962
1-(3-aminophenyl)ethyl sulfite
CID 174384162
1-(3-aminophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 106695922
3-[1-(3-methoxy-3-methylbutoxy)ethyl]aniline
CID 106665054
N-[1-(3-aminophenyl)ethyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103309035
3-[1-(2-bromophenoxy)ethyl]aniline
CID 61262951
3-[1-(3-bromophenoxy)ethyl]aniline
CID 61263689
3-[1-(3-chlorophenoxy)ethyl]aniline
CID 61263691

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,1,1-trifluoropropan-2-yloxy)ethyl]aniline?
The IUPAC name of 3-[1-(1,1,1-trifluoropropan-2-yloxy)ethyl]aniline (CID 66275415) is 3-[1-(1,1,1-trifluoropropan-2-yloxy)ethyl]aniline.
What is the SMILES notation for 3-[1-(1,1,1-trifluoropropan-2-yloxy)ethyl]aniline?
The canonical SMILES for 3-[1-(1,1,1-trifluoropropan-2-yloxy)ethyl]aniline is CC(OC(C)C(F)(F)F)c1cccc(N)c1.
What is the InChIKey of 3-[1-(1,1,1-trifluoropropan-2-yloxy)ethyl]aniline?
The InChIKey is NUCSDLGFOSUSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-7(16-8(2)11(12,13)14)9-4-3-5-10(15)6-9/h3-8H,15H2,1-2H3.
What are the key properties of 3-[1-(1,1,1-trifluoropropan-2-yloxy)ethyl]aniline?
3-[1-(1,1,1-trifluoropropan-2-yloxy)ethyl]aniline has a molecular weight of 233.23 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,1,1-trifluoropropan-2-yloxy)ethyl]aniline is sourced from PubChem (CID 66275415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).