3,4,5-trifluoro-N-(2-methoxyethyl)aniline

C9H10F3NO — CID 62811343

IUPAC3,4,5-trifluoro-N-(2-methoxyethyl)aniline
SMILESCOCCNc1cc(F)c(F)c(F)c1
InChIInChI=1S/C9H10F3NO/c1-14-3-2-13-6-4-7(10)9(12)8(11)5-6/h4-5,13H,2-3H2,1H3
InChIKeyAIQFSJQMFNMAKP-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.16
Rot. Bonds4

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

3,4,5-trifluoro-N-(2-methoxyethyl)aniline (PubChem CID 62811343) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 3,4,5-trifluoro-N-(2-methoxyethyl)aniline.

Molecular Properties

Compound Name3,4,5-trifluoro-N-(2-methoxyethyl)aniline
PubChem CID62811343
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name3,4,5-trifluoro-N-(2-methoxyethyl)aniline
SMILESCOCCNc1cc(F)c(F)c(F)c1
InChIInChI=1S/C9H10F3NO/c1-14-3-2-13-6-4-7(10)9(12)8(11)5-6/h4-5,13H,2-3H2,1H3
InChIKeyAIQFSJQMFNMAKP-UHFFFAOYSA-N
XLogP2.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.16
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

N-(2-ethoxyethyl)-3,4,5-trifluoroaniline
CID 62810804
3,4-difluoro-N-(2-methoxyethyl)aniline
CID 28579883
3,4,5-trifluoro-N-(2-propan-2-yloxyethyl)aniline
CID 62809594
3-fluoro-4-methoxy-N-(2-methoxyethyl)aniline
CID 43380738
3,4,5-trifluoro-N-(3-methoxy-2-methylpropyl)aniline
CID 116501289
2-(2-methoxyethylamino)-N-(3,4,5-trifluorophenyl)acetamide
CID 79281586
N'-(3,4,5-trifluorophenyl)ethane-1,2-diamine
CID 82504640
3,5-difluoro-N-(2-methoxyethyl)-4-piperazin-1-ylaniline
CID 118648209
2-methoxy-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]ethanamine
CID 103290282
2,5-difluoro-N-(2-methoxyethyl)aniline
CID 28574542
3,4-difluoro-N-[2-(3-methoxypropoxy)ethyl]aniline
CID 103178421
3,4,5-trifluoro-N-(3,3,3-trifluoropropyl)aniline
CID 64555020

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trifluoro-N-(2-methoxyethyl)aniline?
The IUPAC name of 3,4,5-trifluoro-N-(2-methoxyethyl)aniline (CID 62811343) is 3,4,5-trifluoro-N-(2-methoxyethyl)aniline.
What is the SMILES notation for 3,4,5-trifluoro-N-(2-methoxyethyl)aniline?
The canonical SMILES for 3,4,5-trifluoro-N-(2-methoxyethyl)aniline is COCCNc1cc(F)c(F)c(F)c1.
What is the InChIKey of 3,4,5-trifluoro-N-(2-methoxyethyl)aniline?
The InChIKey is AIQFSJQMFNMAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-14-3-2-13-6-4-7(10)9(12)8(11)5-6/h4-5,13H,2-3H2,1H3.
What are the key properties of 3,4,5-trifluoro-N-(2-methoxyethyl)aniline?
3,4,5-trifluoro-N-(2-methoxyethyl)aniline has a molecular weight of 205.18 g/mol, XLogP of 2.16, 4 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-methoxyethyl)aniline is sourced from PubChem (CID 62811343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).