1-bromo-2-(difluoromethyl)-4-propoxybenzene

C10H11BrF2O — CID 154815131

IUPAC1-bromo-2-(difluoromethyl)-4-propoxybenzene
SMILESCCCOc1ccc(Br)c(C(F)F)c1
InChIInChI=1S/C10H11BrF2O/c1-2-5-14-7-3-4-9(11)8(6-7)10(12)13/h3-4,6,10H,2,5H2,1H3
InChIKeyUNRMALJLOQGLFG-UHFFFAOYSA-N
MW265.10 g/mol
LogP4.18
Rot. Bonds4

About 1-bromo-2-(difluoromethyl)-4-propoxybenzene

1-bromo-2-(difluoromethyl)-4-propoxybenzene (PubChem CID 154815131) has the molecular formula C10H11BrF2O and a molecular weight of 265.10 g/mol. Its IUPAC name is 1-bromo-2-(difluoromethyl)-4-propoxybenzene.

Molecular Properties

Compound Name1-bromo-2-(difluoromethyl)-4-propoxybenzene
PubChem CID154815131
Molecular FormulaC10H11BrF2O
Molecular Weight265.10 g/mol
Exact Mass264.00
IUPAC Name1-bromo-2-(difluoromethyl)-4-propoxybenzene
SMILESCCCOc1ccc(Br)c(C(F)F)c1
InChIInChI=1S/C10H11BrF2O/c1-2-5-14-7-3-4-9(11)8(6-7)10(12)13/h3-4,6,10H,2,5H2,1H3
InChIKeyUNRMALJLOQGLFG-UHFFFAOYSA-N
XLogP4.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.10
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-1-(difluoromethyl)-4-(2-methoxyethoxy)benzene
CID 154815121
[(2-bromo-5-fluorophenyl)-(4-propoxyphenyl)methyl]hydrazine
CID 105303709
(2,5-dibromophenyl)-(3-propoxyphenyl)methanol
CID 63425956
1-(2-fluoro-5-propoxyphenyl)butan-1-amine
CID 83988799
2-bromo-4-propoxybenzonitrile
CID 104573953
1-bromo-2-fluoro-4-tetradecoxybenzene
CID 23354727
(2-bromo-5-ethoxyphenyl)-diethoxyphosphorylmethanol
CID 86621245
1-(2-fluoro-5-propoxyphenyl)-2,2-dimethylpropan-1-ol
CID 171366377
1-(2-fluoro-4-propoxyphenyl)ethanol
CID 107719521
1-bromo-4-butoxy-2-methoxybenzene
CID 90315981
ethyl (3S)-3-amino-3-(2-bromo-5-methoxyphenyl)-2-fluoropropanoate;hydrochloride
CID 171248016
1,2-dimethyl-4-propoxybenzene
CID 23549082

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(difluoromethyl)-4-propoxybenzene?
The IUPAC name of 1-bromo-2-(difluoromethyl)-4-propoxybenzene (CID 154815131) is 1-bromo-2-(difluoromethyl)-4-propoxybenzene.
What is the SMILES notation for 1-bromo-2-(difluoromethyl)-4-propoxybenzene?
The canonical SMILES for 1-bromo-2-(difluoromethyl)-4-propoxybenzene is CCCOc1ccc(Br)c(C(F)F)c1.
What is the InChIKey of 1-bromo-2-(difluoromethyl)-4-propoxybenzene?
The InChIKey is UNRMALJLOQGLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF2O/c1-2-5-14-7-3-4-9(11)8(6-7)10(12)13/h3-4,6,10H,2,5H2,1H3.
What are the key properties of 1-bromo-2-(difluoromethyl)-4-propoxybenzene?
1-bromo-2-(difluoromethyl)-4-propoxybenzene has a molecular weight of 265.10 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(difluoromethyl)-4-propoxybenzene is sourced from PubChem (CID 154815131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).