4-bromo-2-(3-fluoropropoxy)-1-methoxybenzene

C10H12BrFO2 — CID 146460696

IUPAC4-bromo-2-(3-fluoropropoxy)-1-methoxybenzene
SMILESCOc1ccc(Br)cc1OCCCF
InChIInChI=1S/C10H12BrFO2/c1-13-9-4-3-8(11)7-10(9)14-6-2-5-12/h3-4,7H,2,5-6H2,1H3
InChIKeyKGNLQHDMAVBDPW-UHFFFAOYSA-N
MW263.11 g/mol
LogP3.20
Rot. Bonds5

About 4-bromo-2-(3-fluoropropoxy)-1-methoxybenzene

4-bromo-2-(3-fluoropropoxy)-1-methoxybenzene (PubChem CID 146460696) has the molecular formula C10H12BrFO2 and a molecular weight of 263.11 g/mol. Its IUPAC name is 4-bromo-2-(3-fluoropropoxy)-1-methoxybenzene.

Molecular Properties

Compound Name4-bromo-2-(3-fluoropropoxy)-1-methoxybenzene
PubChem CID146460696
Molecular FormulaC10H12BrFO2
Molecular Weight263.11 g/mol
Exact Mass262.00
IUPAC Name4-bromo-2-(3-fluoropropoxy)-1-methoxybenzene
SMILESCOc1ccc(Br)cc1OCCCF
InChIInChI=1S/C10H12BrFO2/c1-13-9-4-3-8(11)7-10(9)14-6-2-5-12/h3-4,7H,2,5-6H2,1H3
InChIKeyKGNLQHDMAVBDPW-UHFFFAOYSA-N
XLogP3.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.11
LogP ≤ 53.20
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

4-bromo-1-methoxy-2-(2-methoxyethoxy)benzene
CID 53216998
4-bromo-2-(2-chloroethoxy)-1-methoxybenzene
CID 66602625
5-(5-bromo-2-methoxyphenoxy)pentan-1-ol
CID 155928755
6-(5-bromo-2-methoxyphenoxy)hexanenitrile
CID 91655464
1-[5-bromo-2-(3-fluoropropoxy)phenyl]-N-methylmethanamine
CID 81105522
5-bromo-2-(3-fluoropropoxy)benzaldehyde
CID 81106104
1-[5-bromo-2-(3-fluoropropoxy)phenyl]ethanol
CID 81113258
(1R)-1-[5-bromo-2-(3-fluoropropoxy)phenyl]ethanol
CID 81114812
4-bromo-1,2-dibutoxybenzene
CID 10870333
[4-(3-fluoropropoxy)-3-methoxyphenyl]methanamine
CID 81106628
5-bromo-2-(3-fluoropropoxy)benzenesulfonamide
CID 81113386
2-[3-(3-fluoropropoxy)-4-methoxyphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 147796105

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(3-fluoropropoxy)-1-methoxybenzene?
The IUPAC name of 4-bromo-2-(3-fluoropropoxy)-1-methoxybenzene (CID 146460696) is 4-bromo-2-(3-fluoropropoxy)-1-methoxybenzene.
What is the SMILES notation for 4-bromo-2-(3-fluoropropoxy)-1-methoxybenzene?
The canonical SMILES for 4-bromo-2-(3-fluoropropoxy)-1-methoxybenzene is COc1ccc(Br)cc1OCCCF.
What is the InChIKey of 4-bromo-2-(3-fluoropropoxy)-1-methoxybenzene?
The InChIKey is KGNLQHDMAVBDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFO2/c1-13-9-4-3-8(11)7-10(9)14-6-2-5-12/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 4-bromo-2-(3-fluoropropoxy)-1-methoxybenzene?
4-bromo-2-(3-fluoropropoxy)-1-methoxybenzene has a molecular weight of 263.11 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(3-fluoropropoxy)-1-methoxybenzene is sourced from PubChem (CID 146460696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).