N-(2-butoxyethyl)-2,3,5,6-tetrafluoroaniline

C12H15F4NO — CID 107644359

IUPACN-(2-butoxyethyl)-2,3,5,6-tetrafluoroaniline
SMILESCCCCOCCNc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C12H15F4NO/c1-2-3-5-18-6-4-17-12-10(15)8(13)7-9(14)11(12)16/h7,17H,2-6H2,1H3
InChIKeyLTYZULPBMQHIMQ-UHFFFAOYSA-N
MW265.25 g/mol
LogP3.47
Rot. Bonds7

About N-(2-butoxyethyl)-2,3,5,6-tetrafluoroaniline

N-(2-butoxyethyl)-2,3,5,6-tetrafluoroaniline (PubChem CID 107644359) has the molecular formula C12H15F4NO and a molecular weight of 265.25 g/mol. Its IUPAC name is N-(2-butoxyethyl)-2,3,5,6-tetrafluoroaniline.

Molecular Properties

Compound NameN-(2-butoxyethyl)-2,3,5,6-tetrafluoroaniline
PubChem CID107644359
Molecular FormulaC12H15F4NO
Molecular Weight265.25 g/mol
Exact Mass265.11
IUPAC NameN-(2-butoxyethyl)-2,3,5,6-tetrafluoroaniline
SMILESCCCCOCCNc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C12H15F4NO/c1-2-3-5-18-6-4-17-12-10(15)8(13)7-9(14)11(12)16/h7,17H,2-6H2,1H3
InChIKeyLTYZULPBMQHIMQ-UHFFFAOYSA-N
XLogP3.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 53.47
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_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-butoxyethyl)-3,5-dimethylaniline
CID 61483002
N-(2-butoxyethyl)-4-fluoroaniline
CID 61482924
2,3,4,5,6-pentafluoro-N-[2-[2-[2-(2,3,4,5-tetrafluoroanilino)ethoxy]ethoxy]ethyl]aniline
CID 101195346
N-(2-butoxyethyl)-4-ethoxy-3-fluoroaniline
CID 113399744
2-N-(2-butoxyethyl)-4-fluoro-5-iodobenzene-1,2-diamine
CID 66099520
N-[2-(2-butoxyethoxy)ethyl]aniline
CID 55093379
3-butoxy-1,2,4,5-tetrafluorobenzene
CID 22416140
2,3,5,6-tetrafluoro-N-(3-fluoropropyl)aniline
CID 107644218
N-(2-ethoxyethyl)-3,4,5-trifluoroaniline
CID 62810804
5-(butoxymethyl)-1,2,3-trifluorobenzene
CID 91719120
2-bromo-N-(2-butoxyethyl)-4-fluoroaniline
CID 61483215
2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine
CID 104561249

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-2,3,5,6-tetrafluoroaniline?
The IUPAC name of N-(2-butoxyethyl)-2,3,5,6-tetrafluoroaniline (CID 107644359) is N-(2-butoxyethyl)-2,3,5,6-tetrafluoroaniline.
What is the SMILES notation for N-(2-butoxyethyl)-2,3,5,6-tetrafluoroaniline?
The canonical SMILES for N-(2-butoxyethyl)-2,3,5,6-tetrafluoroaniline is CCCCOCCNc1c(F)c(F)cc(F)c1F.
What is the InChIKey of N-(2-butoxyethyl)-2,3,5,6-tetrafluoroaniline?
The InChIKey is LTYZULPBMQHIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F4NO/c1-2-3-5-18-6-4-17-12-10(15)8(13)7-9(14)11(12)16/h7,17H,2-6H2,1H3.
What are the key properties of N-(2-butoxyethyl)-2,3,5,6-tetrafluoroaniline?
N-(2-butoxyethyl)-2,3,5,6-tetrafluoroaniline has a molecular weight of 265.25 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-2,3,5,6-tetrafluoroaniline is sourced from PubChem (CID 107644359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).