2-(3-bromopropyl)-4-(difluoromethoxy)-1-iodobenzene

C10H10BrF2IO — CID 118801940

IUPAC2-(3-bromopropyl)-4-(difluoromethoxy)-1-iodobenzene
SMILESFC(F)Oc1ccc(I)c(CCCBr)c1
InChIInChI=1S/C10H10BrF2IO/c11-5-1-2-7-6-8(15-10(12)13)3-4-9(7)14/h3-4,6,10H,1-2,5H2
InChIKeyUZNUDURMOUFACF-UHFFFAOYSA-N
MW390.99 g/mol
LogP4.22
Rot. Bonds5

About 2-(3-bromopropyl)-4-(difluoromethoxy)-1-iodobenzene

2-(3-bromopropyl)-4-(difluoromethoxy)-1-iodobenzene (PubChem CID 118801940) has the molecular formula C10H10BrF2IO and a molecular weight of 390.99 g/mol. Its IUPAC name is 2-(3-bromopropyl)-4-(difluoromethoxy)-1-iodobenzene.

Molecular Properties

Compound Name2-(3-bromopropyl)-4-(difluoromethoxy)-1-iodobenzene
PubChem CID118801940
Molecular FormulaC10H10BrF2IO
Molecular Weight390.99 g/mol
Exact Mass389.89
IUPAC Name2-(3-bromopropyl)-4-(difluoromethoxy)-1-iodobenzene
SMILESFC(F)Oc1ccc(I)c(CCCBr)c1
InChIInChI=1S/C10H10BrF2IO/c11-5-1-2-7-6-8(15-10(12)13)3-4-9(7)14/h3-4,6,10H,1-2,5H2
InChIKeyUZNUDURMOUFACF-UHFFFAOYSA-N
XLogP4.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.99
LogP ≤ 54.22
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

2-bromo-1-(3-bromopropyl)-4-(difluoromethoxy)benzene
CID 134625353
3-bromo-1-[5-(difluoromethoxy)-2-iodophenyl]propan-1-one
CID 134625517
ethyl 2-(3-bromopropyl)-5-(difluoromethoxy)benzoate
CID 134643956
1-bromo-2-(3-bromopropyl)-4-(trifluoromethoxy)benzene
CID 118800457
2-(bromomethyl)-4-(difluoromethoxy)-1-(trifluoromethoxy)benzene
CID 170997723
1-(3-chloropropyl)-4-(difluoromethoxy)-2-methylsulfanylbenzene
CID 118848020
1-(3-bromopropyl)-3-(difluoromethoxy)-5-ethoxybenzene
CID 118802011
1-(3-bromopropyl)-3-(difluoromethoxy)-2-methoxybenzene
CID 118842066
1-iodo-4-methoxy-2-(7-methoxyheptyl)benzene
CID 71011594
methyl 3-(3-bromopropyl)-5-(difluoromethoxy)benzoate
CID 134649375
4-(3-bromopropyl)-2-ethyl-1-iodobenzene
CID 118835842
5-(3-bromopropyl)-2-(difluoromethoxy)-1,3-difluorobenzene
CID 22913855

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromopropyl)-4-(difluoromethoxy)-1-iodobenzene?
The IUPAC name of 2-(3-bromopropyl)-4-(difluoromethoxy)-1-iodobenzene (CID 118801940) is 2-(3-bromopropyl)-4-(difluoromethoxy)-1-iodobenzene.
What is the SMILES notation for 2-(3-bromopropyl)-4-(difluoromethoxy)-1-iodobenzene?
The canonical SMILES for 2-(3-bromopropyl)-4-(difluoromethoxy)-1-iodobenzene is FC(F)Oc1ccc(I)c(CCCBr)c1.
What is the InChIKey of 2-(3-bromopropyl)-4-(difluoromethoxy)-1-iodobenzene?
The InChIKey is UZNUDURMOUFACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2IO/c11-5-1-2-7-6-8(15-10(12)13)3-4-9(7)14/h3-4,6,10H,1-2,5H2.
What are the key properties of 2-(3-bromopropyl)-4-(difluoromethoxy)-1-iodobenzene?
2-(3-bromopropyl)-4-(difluoromethoxy)-1-iodobenzene has a molecular weight of 390.99 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromopropyl)-4-(difluoromethoxy)-1-iodobenzene is sourced from PubChem (CID 118801940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).