2-fluoro-6-[(3-iodoanilino)methyl]phenol

C13H11FINO — CID 112606354

IUPAC2-fluoro-6-[(3-iodoanilino)methyl]phenol
SMILESOc1c(F)cccc1CNc1cccc(I)c1
InChIInChI=1S/C13H11FINO/c14-12-6-1-3-9(13(12)17)8-16-11-5-2-4-10(15)7-11/h1-7,16-17H,8H2
InChIKeyWLYFIKIEJVHXEN-UHFFFAOYSA-N
MW343.14 g/mol
LogP3.75
Rot. Bonds3

About 2-fluoro-6-[(3-iodoanilino)methyl]phenol

2-fluoro-6-[(3-iodoanilino)methyl]phenol (PubChem CID 112606354) has the molecular formula C13H11FINO and a molecular weight of 343.14 g/mol. Its IUPAC name is 2-fluoro-6-[(3-iodoanilino)methyl]phenol.

Molecular Properties

Compound Name2-fluoro-6-[(3-iodoanilino)methyl]phenol
PubChem CID112606354
Molecular FormulaC13H11FINO
Molecular Weight343.14 g/mol
Exact Mass342.99
IUPAC Name2-fluoro-6-[(3-iodoanilino)methyl]phenol
SMILESOc1c(F)cccc1CNc1cccc(I)c1
InChIInChI=1S/C13H11FINO/c14-12-6-1-3-9(13(12)17)8-16-11-5-2-4-10(15)7-11/h1-7,16-17H,8H2
InChIKeyWLYFIKIEJVHXEN-UHFFFAOYSA-N
XLogP3.75
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.14
LogP ≤ 53.75
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

N-[(2-fluorophenyl)methyl]-3-iodoaniline
CID 28879188
2-ethoxy-6-[(3-iodoanilino)methyl]phenol
CID 28977257
3-[(2,3-difluorophenyl)methylamino]phenol
CID 63667379
2-fluoro-6-[[3-(2-methoxyethoxy)anilino]methyl]phenol
CID 115951590
2-fluoro-6-[[4-(trifluoromethyl)anilino]methyl]phenol
CID 115950943
N-[(3,4-difluorophenyl)methyl]-3-iodoaniline
CID 28879228
N-[(4-fluoro-2-methylphenyl)methyl]-3-iodoaniline
CID 63421874
4-[(2,3-difluorophenyl)methylamino]-2-fluorophenol
CID 64795401
2-chloro-4-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide
CID 115951437
N-[(3-fluorophenyl)methyl]-3-iodoaniline
CID 28879212
2-fluoro-6-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]phenol
CID 115951019
2-chloro-5-[(3-fluoro-2-hydroxyphenyl)methylamino]-N-methylbenzamide
CID 115951601

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(3-iodoanilino)methyl]phenol?
The IUPAC name of 2-fluoro-6-[(3-iodoanilino)methyl]phenol (CID 112606354) is 2-fluoro-6-[(3-iodoanilino)methyl]phenol.
What is the SMILES notation for 2-fluoro-6-[(3-iodoanilino)methyl]phenol?
The canonical SMILES for 2-fluoro-6-[(3-iodoanilino)methyl]phenol is Oc1c(F)cccc1CNc1cccc(I)c1.
What is the InChIKey of 2-fluoro-6-[(3-iodoanilino)methyl]phenol?
The InChIKey is WLYFIKIEJVHXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FINO/c14-12-6-1-3-9(13(12)17)8-16-11-5-2-4-10(15)7-11/h1-7,16-17H,8H2.
What are the key properties of 2-fluoro-6-[(3-iodoanilino)methyl]phenol?
2-fluoro-6-[(3-iodoanilino)methyl]phenol has a molecular weight of 343.14 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(3-iodoanilino)methyl]phenol is sourced from PubChem (CID 112606354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).