3,4,5-trifluoro-N-(2-propan-2-yloxyethyl)aniline

C11H14F3NO — CID 62809594

IUPAC3,4,5-trifluoro-N-(2-propan-2-yloxyethyl)aniline
SMILESCC(C)OCCNc1cc(F)c(F)c(F)c1
InChIInChI=1S/C11H14F3NO/c1-7(2)16-4-3-15-8-5-9(12)11(14)10(13)6-8/h5-7,15H,3-4H2,1-2H3
InChIKeyPFTUYJGVOGHWRG-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.94
Rot. Bonds5

About 3,4,5-trifluoro-N-(2-propan-2-yloxyethyl)aniline

3,4,5-trifluoro-N-(2-propan-2-yloxyethyl)aniline (PubChem CID 62809594) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 3,4,5-trifluoro-N-(2-propan-2-yloxyethyl)aniline.

Molecular Properties

Compound Name3,4,5-trifluoro-N-(2-propan-2-yloxyethyl)aniline
PubChem CID62809594
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name3,4,5-trifluoro-N-(2-propan-2-yloxyethyl)aniline
SMILESCC(C)OCCNc1cc(F)c(F)c(F)c1
InChIInChI=1S/C11H14F3NO/c1-7(2)16-4-3-15-8-5-9(12)11(14)10(13)6-8/h5-7,15H,3-4H2,1-2H3
InChIKeyPFTUYJGVOGHWRG-UHFFFAOYSA-N
XLogP2.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3,4,5-trifluoro-N-(2-methoxyethyl)aniline
CID 62811343
N-(2-ethoxyethyl)-3,4,5-trifluoroaniline
CID 62810804
4-bromo-3,5-dimethyl-N-(2-propan-2-yloxyethyl)aniline
CID 107573538
4-chloro-N-(2-propan-2-yloxyethyl)aniline
CID 60678961
3-N-methyl-5-N-(2-propan-2-yloxyethyl)pyridine-3,5-diamine
CID 104767059
3,4,5-trifluoro-N-(2-propan-2-yloxyethyl)benzamide
CID 104578530
5-chloro-2-fluoro-N-(2-propan-2-yloxyethyl)aniline
CID 60680287
3,4,5-trifluoro-N-(2-methylpropyl)aniline
CID 62809579
3,4,5-trifluoro-N-(3-methoxy-2-methylpropyl)aniline
CID 116501289
4-iodo-N-(2-propan-2-yloxyethyl)aniline
CID 60679190
5-bromo-2-fluoro-N-(2-propan-2-yloxyethyl)aniline
CID 61485154
6-ethyl-5-fluoro-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 104577121

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trifluoro-N-(2-propan-2-yloxyethyl)aniline?
The IUPAC name of 3,4,5-trifluoro-N-(2-propan-2-yloxyethyl)aniline (CID 62809594) is 3,4,5-trifluoro-N-(2-propan-2-yloxyethyl)aniline.
What is the SMILES notation for 3,4,5-trifluoro-N-(2-propan-2-yloxyethyl)aniline?
The canonical SMILES for 3,4,5-trifluoro-N-(2-propan-2-yloxyethyl)aniline is CC(C)OCCNc1cc(F)c(F)c(F)c1.
What is the InChIKey of 3,4,5-trifluoro-N-(2-propan-2-yloxyethyl)aniline?
The InChIKey is PFTUYJGVOGHWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-7(2)16-4-3-15-8-5-9(12)11(14)10(13)6-8/h5-7,15H,3-4H2,1-2H3.
What are the key properties of 3,4,5-trifluoro-N-(2-propan-2-yloxyethyl)aniline?
3,4,5-trifluoro-N-(2-propan-2-yloxyethyl)aniline has a molecular weight of 233.23 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trifluoro-N-(2-propan-2-yloxyethyl)aniline is sourced from PubChem (CID 62809594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).