2-bromo-1-(3-bromopropyl)-4-(difluoromethoxy)benzene

C10H10Br2F2O — CID 134625353

IUPAC2-bromo-1-(3-bromopropyl)-4-(difluoromethoxy)benzene
SMILESFC(F)Oc1ccc(CCCBr)c(Br)c1
InChIInChI=1S/C10H10Br2F2O/c11-5-1-2-7-3-4-8(6-9(7)12)15-10(13)14/h3-4,6,10H,1-2,5H2
InChIKeyBVXOEWBBTKVTLZ-UHFFFAOYSA-N
MW343.99 g/mol
LogP4.38
Rot. Bonds5

About 2-bromo-1-(3-bromopropyl)-4-(difluoromethoxy)benzene

2-bromo-1-(3-bromopropyl)-4-(difluoromethoxy)benzene (PubChem CID 134625353) has the molecular formula C10H10Br2F2O and a molecular weight of 343.99 g/mol. Its IUPAC name is 2-bromo-1-(3-bromopropyl)-4-(difluoromethoxy)benzene.

Molecular Properties

Compound Name2-bromo-1-(3-bromopropyl)-4-(difluoromethoxy)benzene
PubChem CID134625353
Molecular FormulaC10H10Br2F2O
Molecular Weight343.99 g/mol
Exact Mass341.91
IUPAC Name2-bromo-1-(3-bromopropyl)-4-(difluoromethoxy)benzene
SMILESFC(F)Oc1ccc(CCCBr)c(Br)c1
InChIInChI=1S/C10H10Br2F2O/c11-5-1-2-7-3-4-8(6-9(7)12)15-10(13)14/h3-4,6,10H,1-2,5H2
InChIKeyBVXOEWBBTKVTLZ-UHFFFAOYSA-N
XLogP4.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.99
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromopropyl)-4-(difluoromethoxy)-1-iodobenzene
CID 118801940
1-bromo-3-[2-bromo-4-(difluoromethoxy)phenyl]propan-2-one
CID 134616182
ethyl 2-(3-bromopropyl)-5-(difluoromethoxy)benzoate
CID 134643956
2-bromo-1-(3-bromopropyl)-4-fluorobenzene
CID 62604582
1-bromo-2-(3-bromopropyl)-4-(trifluoromethoxy)benzene
CID 118800457
[3-bromo-4-(3-bromopropyl)phenyl]methanol
CID 134625359
1-(3-chloropropyl)-4-(difluoromethoxy)-2-methylsulfanylbenzene
CID 118848020
2-[3-bromo-4-(3-bromopropyl)phenyl]acetic acid
CID 134625365
1-(3-bromopropyl)-3-(difluoromethoxy)-2-methoxybenzene
CID 118842066
2-bromo-5-(difluoromethoxy)benzenethiol
CID 119002575
3-(2-bromo-4-methoxyphenyl)propan-1-amine
CID 82622371
3-bromo-1-[2-(chloromethyl)-5-(difluoromethoxy)phenyl]propan-1-one
CID 134624329

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(3-bromopropyl)-4-(difluoromethoxy)benzene?
The IUPAC name of 2-bromo-1-(3-bromopropyl)-4-(difluoromethoxy)benzene (CID 134625353) is 2-bromo-1-(3-bromopropyl)-4-(difluoromethoxy)benzene.
What is the SMILES notation for 2-bromo-1-(3-bromopropyl)-4-(difluoromethoxy)benzene?
The canonical SMILES for 2-bromo-1-(3-bromopropyl)-4-(difluoromethoxy)benzene is FC(F)Oc1ccc(CCCBr)c(Br)c1.
What is the InChIKey of 2-bromo-1-(3-bromopropyl)-4-(difluoromethoxy)benzene?
The InChIKey is BVXOEWBBTKVTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2F2O/c11-5-1-2-7-3-4-8(6-9(7)12)15-10(13)14/h3-4,6,10H,1-2,5H2.
What are the key properties of 2-bromo-1-(3-bromopropyl)-4-(difluoromethoxy)benzene?
2-bromo-1-(3-bromopropyl)-4-(difluoromethoxy)benzene has a molecular weight of 343.99 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(3-bromopropyl)-4-(difluoromethoxy)benzene is sourced from PubChem (CID 134625353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).