2-(2-ethoxyethoxy)-4-fluoro-5-iodoaniline

C10H13FINO2 — CID 66100153

IUPAC2-(2-ethoxyethoxy)-4-fluoro-5-iodoaniline
SMILESCCOCCOc1cc(F)c(I)cc1N
InChIInChI=1S/C10H13FINO2/c1-2-14-3-4-15-10-5-7(11)8(12)6-9(10)13/h5-6H,2-4,13H2,1H3
InChIKeyCCXBNBORBHDDOY-UHFFFAOYSA-N
MW325.12 g/mol
LogP2.43
Rot. Bonds5

About 2-(2-ethoxyethoxy)-4-fluoro-5-iodoaniline

2-(2-ethoxyethoxy)-4-fluoro-5-iodoaniline (PubChem CID 66100153) has the molecular formula C10H13FINO2 and a molecular weight of 325.12 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)-4-fluoro-5-iodoaniline.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)-4-fluoro-5-iodoaniline
PubChem CID66100153
Molecular FormulaC10H13FINO2
Molecular Weight325.12 g/mol
Exact Mass325.00
IUPAC Name2-(2-ethoxyethoxy)-4-fluoro-5-iodoaniline
SMILESCCOCCOc1cc(F)c(I)cc1N
InChIInChI=1S/C10H13FINO2/c1-2-14-3-4-15-10-5-7(11)8(12)6-9(10)13/h5-6H,2-4,13H2,1H3
InChIKeyCCXBNBORBHDDOY-UHFFFAOYSA-N
XLogP2.43
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.12
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-5-iodo-2-(3-methylbutoxy)aniline
CID 66100154
2-N-(2-ethoxyethyl)-4-fluoro-5-iodobenzene-1,2-diamine
CID 66101653
4-chloro-2-(2-ethoxyethoxy)aniline
CID 62306206
4-bromo-2-(2-ethoxyethoxy)aniline
CID 65342534
4-fluoro-5-iodo-2-(1-methoxypropan-2-yloxy)aniline
CID 66099971
4-ethoxy-5-fluoro-2-(2-methoxyethoxy)aniline
CID 63593955
4,5-dichloro-2-(3-ethoxypropoxy)aniline
CID 107497934
4-fluoro-5-iodo-2-[(3-methoxyphenyl)methoxy]aniline
CID 66100157
5-fluoro-4-iodo-2-methoxyaniline
CID 131593338
1-ethoxy-4-fluoro-5-iodo-2-methoxybenzene
CID 59838060
5-fluoro-2-[2-(3-methoxypropoxy)ethoxy]-4-propoxyaniline
CID 103176795
4-amino-3-(2-ethoxyethoxy)benzenesulfonamide
CID 82900278

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)-4-fluoro-5-iodoaniline?
The IUPAC name of 2-(2-ethoxyethoxy)-4-fluoro-5-iodoaniline (CID 66100153) is 2-(2-ethoxyethoxy)-4-fluoro-5-iodoaniline.
What is the SMILES notation for 2-(2-ethoxyethoxy)-4-fluoro-5-iodoaniline?
The canonical SMILES for 2-(2-ethoxyethoxy)-4-fluoro-5-iodoaniline is CCOCCOc1cc(F)c(I)cc1N.
What is the InChIKey of 2-(2-ethoxyethoxy)-4-fluoro-5-iodoaniline?
The InChIKey is CCXBNBORBHDDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FINO2/c1-2-14-3-4-15-10-5-7(11)8(12)6-9(10)13/h5-6H,2-4,13H2,1H3.
What are the key properties of 2-(2-ethoxyethoxy)-4-fluoro-5-iodoaniline?
2-(2-ethoxyethoxy)-4-fluoro-5-iodoaniline has a molecular weight of 325.12 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)-4-fluoro-5-iodoaniline is sourced from PubChem (CID 66100153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).