1,2-difluoro-4-[3-(3-iodopropyl)phenoxy]benzene

C15H13F2IO — CID 25223173

IUPAC1,2-difluoro-4-[3-(3-iodopropyl)phenoxy]benzene
SMILESFc1ccc(Oc2cccc(CCCI)c2)cc1F
InChIInChI=1S/C15H13F2IO/c16-14-7-6-13(10-15(14)17)19-12-5-1-3-11(9-12)4-2-8-18/h1,3,5-7,9-10H,2,4,8H2
InChIKeyBGBZHKFAUGBAEJ-UHFFFAOYSA-N
MW374.17 g/mol
LogP5.12
Rot. Bonds5

About 1,2-difluoro-4-[3-(3-iodopropyl)phenoxy]benzene

1,2-difluoro-4-[3-(3-iodopropyl)phenoxy]benzene (PubChem CID 25223173) has the molecular formula C15H13F2IO and a molecular weight of 374.17 g/mol. Its IUPAC name is 1,2-difluoro-4-[3-(3-iodopropyl)phenoxy]benzene.

Molecular Properties

Compound Name1,2-difluoro-4-[3-(3-iodopropyl)phenoxy]benzene
PubChem CID25223173
Molecular FormulaC15H13F2IO
Molecular Weight374.17 g/mol
Exact Mass374.00
IUPAC Name1,2-difluoro-4-[3-(3-iodopropyl)phenoxy]benzene
SMILESFc1ccc(Oc2cccc(CCCI)c2)cc1F
InChIInChI=1S/C15H13F2IO/c16-14-7-6-13(10-15(14)17)19-12-5-1-3-11(9-12)4-2-8-18/h1,3,5-7,9-10H,2,4,8H2
InChIKeyBGBZHKFAUGBAEJ-UHFFFAOYSA-N
XLogP5.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.17
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-iodopropyl)-3-(4-phenoxyphenoxy)benzene
CID 25223171
2-[3-(3,4-difluorophenoxy)phenyl]ethanamine
CID 63941961
1-(3-iodopropyl)-3-(4-propylphenoxy)benzene
CID 25223077
1-fluoro-4-[3-(6-phenylhexyl)phenoxy]benzene
CID 58531395
1,2-difluoro-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene
CID 21269950
N-[[3-(3,4-difluorophenoxy)phenyl]methyl]propan-2-amine
CID 63942324
1-phenoxy-3-(3-phenylpropyl)benzene
CID 173282204
O-[3-[3-(4-chlorophenoxy)phenyl]propyl]hydroxylamine
CID 70328093
[3-(3-iodopropyl)phenyl] acetate
CID 68985317
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
5-(3-phenoxyphenyl)pentan-1-amine
CID 175525700
1-fluoro-4-(3-propylphenoxy)benzene
CID 54416846

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-[3-(3-iodopropyl)phenoxy]benzene?
The IUPAC name of 1,2-difluoro-4-[3-(3-iodopropyl)phenoxy]benzene (CID 25223173) is 1,2-difluoro-4-[3-(3-iodopropyl)phenoxy]benzene.
What is the SMILES notation for 1,2-difluoro-4-[3-(3-iodopropyl)phenoxy]benzene?
The canonical SMILES for 1,2-difluoro-4-[3-(3-iodopropyl)phenoxy]benzene is Fc1ccc(Oc2cccc(CCCI)c2)cc1F.
What is the InChIKey of 1,2-difluoro-4-[3-(3-iodopropyl)phenoxy]benzene?
The InChIKey is BGBZHKFAUGBAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2IO/c16-14-7-6-13(10-15(14)17)19-12-5-1-3-11(9-12)4-2-8-18/h1,3,5-7,9-10H,2,4,8H2.
What are the key properties of 1,2-difluoro-4-[3-(3-iodopropyl)phenoxy]benzene?
1,2-difluoro-4-[3-(3-iodopropyl)phenoxy]benzene has a molecular weight of 374.17 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-[3-(3-iodopropyl)phenoxy]benzene is sourced from PubChem (CID 25223173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).