5-fluoro-2-[1-(4-iodoanilino)ethyl]phenol

C14H13FINO — CID 63065839

IUPAC5-fluoro-2-[1-(4-iodoanilino)ethyl]phenol
SMILESCC(Nc1ccc(I)cc1)c1ccc(F)cc1O
InChIInChI=1S/C14H13FINO/c1-9(13-7-2-10(15)8-14(13)18)17-12-5-3-11(16)4-6-12/h2-9,17-18H,1H3
InChIKeyHTFZKTNQAKSBPI-UHFFFAOYSA-N
MW357.17 g/mol
LogP4.31
Rot. Bonds3

About 5-fluoro-2-[1-(4-iodoanilino)ethyl]phenol

5-fluoro-2-[1-(4-iodoanilino)ethyl]phenol (PubChem CID 63065839) has the molecular formula C14H13FINO and a molecular weight of 357.17 g/mol. Its IUPAC name is 5-fluoro-2-[1-(4-iodoanilino)ethyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[1-(4-iodoanilino)ethyl]phenol
PubChem CID63065839
Molecular FormulaC14H13FINO
Molecular Weight357.17 g/mol
Exact Mass357.00
IUPAC Name5-fluoro-2-[1-(4-iodoanilino)ethyl]phenol
SMILESCC(Nc1ccc(I)cc1)c1ccc(F)cc1O
InChIInChI=1S/C14H13FINO/c1-9(13-7-2-10(15)8-14(13)18)17-12-5-3-11(16)4-6-12/h2-9,17-18H,1H3
InChIKeyHTFZKTNQAKSBPI-UHFFFAOYSA-N
XLogP4.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.17
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-2-[1-[4-(trifluoromethyl)anilino]ethyl]phenol
CID 63065466
4-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]benzenesulfonamide
CID 63066353
2-[1-(4-ethoxyanilino)ethyl]-5-fluorophenol
CID 63066351
5-fluoro-2-[1-(4-propoxyanilino)ethyl]phenol
CID 63068191
2-[1-(3-chloro-5-fluoroanilino)ethyl]-5-fluorophenol
CID 104584071
2-[1-(4-bromo-3,5-dimethylanilino)ethyl]-5-fluorophenol
CID 107572030
5-fluoro-2-[1-(thiophen-3-ylamino)ethyl]phenol
CID 66352112
5-fluoro-2-[1-(3-methoxyanilino)ethyl]phenol
CID 55146491
2-chloro-5-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]benzoic acid
CID 63064819
N-[1-(4-fluorophenyl)ethyl]-4-iodoaniline
CID 43088233
N-[1-(2,4-difluorophenyl)ethyl]-4-fluoroaniline
CID 43194675
4-[1-(2-chloro-4-fluorophenyl)ethylamino]phenol
CID 43790400

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-(4-iodoanilino)ethyl]phenol?
The IUPAC name of 5-fluoro-2-[1-(4-iodoanilino)ethyl]phenol (CID 63065839) is 5-fluoro-2-[1-(4-iodoanilino)ethyl]phenol.
What is the SMILES notation for 5-fluoro-2-[1-(4-iodoanilino)ethyl]phenol?
The canonical SMILES for 5-fluoro-2-[1-(4-iodoanilino)ethyl]phenol is CC(Nc1ccc(I)cc1)c1ccc(F)cc1O.
What is the InChIKey of 5-fluoro-2-[1-(4-iodoanilino)ethyl]phenol?
The InChIKey is HTFZKTNQAKSBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FINO/c1-9(13-7-2-10(15)8-14(13)18)17-12-5-3-11(16)4-6-12/h2-9,17-18H,1H3.
What are the key properties of 5-fluoro-2-[1-(4-iodoanilino)ethyl]phenol?
5-fluoro-2-[1-(4-iodoanilino)ethyl]phenol has a molecular weight of 357.17 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-(4-iodoanilino)ethyl]phenol is sourced from PubChem (CID 63065839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).