2-bromo-1-(difluoromethyl)-4-(2-methoxyethoxy)benzene

C10H11BrF2O2 — CID 154815121

IUPAC2-bromo-1-(difluoromethyl)-4-(2-methoxyethoxy)benzene
SMILESCOCCOc1ccc(C(F)F)c(Br)c1
InChIInChI=1S/C10H11BrF2O2/c1-14-4-5-15-7-2-3-8(10(12)13)9(11)6-7/h2-3,6,10H,4-5H2,1H3
InChIKeyFNVWYKYEKHJWLQ-UHFFFAOYSA-N
MW281.10 g/mol
LogP3.41
Rot. Bonds5

About 2-bromo-1-(difluoromethyl)-4-(2-methoxyethoxy)benzene

2-bromo-1-(difluoromethyl)-4-(2-methoxyethoxy)benzene (PubChem CID 154815121) has the molecular formula C10H11BrF2O2 and a molecular weight of 281.10 g/mol. Its IUPAC name is 2-bromo-1-(difluoromethyl)-4-(2-methoxyethoxy)benzene.

Molecular Properties

Compound Name2-bromo-1-(difluoromethyl)-4-(2-methoxyethoxy)benzene
PubChem CID154815121
Molecular FormulaC10H11BrF2O2
Molecular Weight281.10 g/mol
Exact Mass279.99
IUPAC Name2-bromo-1-(difluoromethyl)-4-(2-methoxyethoxy)benzene
SMILESCOCCOc1ccc(C(F)F)c(Br)c1
InChIInChI=1S/C10H11BrF2O2/c1-14-4-5-15-7-2-3-8(10(12)13)9(11)6-7/h2-3,6,10H,4-5H2,1H3
InChIKeyFNVWYKYEKHJWLQ-UHFFFAOYSA-N
XLogP3.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.10
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1-(difluoromethyl)-4-phenylmethoxybenzene
CID 154815122
1-bromo-2-(difluoromethyl)-4-propoxybenzene
CID 154815131
2-bromo-1-fluoro-4-(4-methoxybutoxy)benzene
CID 115903983
[2-bromo-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 107275281
2-bromo-1-fluoro-4-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 83232381
1-bromo-4-(2-methoxyethoxy)-2-(3-methoxypropyl)benzene
CID 58083361
2-fluoro-4-(2-methoxyethoxy)-1-methylbenzene
CID 21363868
(1R)-1-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanamine
CID 107718394
3-[2-bromo-5-(2-methoxyethoxy)phenyl]-4,4-dimethylpentanoic acid
CID 66724104
1,2-bis[4-(2-methoxyethoxy)phenyl]ethane-1,2-diamine
CID 101255138
1-[3-bromo-4-(difluoromethyl)phenyl]-N-methoxymethanamine
CID 117419019
ethane;1-fluoro-4-(2-methoxyethoxy)-2-methylbenzene
CID 145070405

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(difluoromethyl)-4-(2-methoxyethoxy)benzene?
The IUPAC name of 2-bromo-1-(difluoromethyl)-4-(2-methoxyethoxy)benzene (CID 154815121) is 2-bromo-1-(difluoromethyl)-4-(2-methoxyethoxy)benzene.
What is the SMILES notation for 2-bromo-1-(difluoromethyl)-4-(2-methoxyethoxy)benzene?
The canonical SMILES for 2-bromo-1-(difluoromethyl)-4-(2-methoxyethoxy)benzene is COCCOc1ccc(C(F)F)c(Br)c1.
What is the InChIKey of 2-bromo-1-(difluoromethyl)-4-(2-methoxyethoxy)benzene?
The InChIKey is FNVWYKYEKHJWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF2O2/c1-14-4-5-15-7-2-3-8(10(12)13)9(11)6-7/h2-3,6,10H,4-5H2,1H3.
What are the key properties of 2-bromo-1-(difluoromethyl)-4-(2-methoxyethoxy)benzene?
2-bromo-1-(difluoromethyl)-4-(2-methoxyethoxy)benzene has a molecular weight of 281.10 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(difluoromethyl)-4-(2-methoxyethoxy)benzene is sourced from PubChem (CID 154815121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).