1-bromo-5-(2-fluoropropan-2-yl)-2,3-dimethoxybenzene

C11H14BrFO2 — CID 84714628

IUPAC1-bromo-5-(2-fluoropropan-2-yl)-2,3-dimethoxybenzene
SMILESCOc1cc(C(C)(C)F)cc(Br)c1OC
InChIInChI=1S/C11H14BrFO2/c1-11(2,13)7-5-8(12)10(15-4)9(6-7)14-3/h5-6H,1-4H3
InChIKeyKCXZLVPURWYFCK-UHFFFAOYSA-N
MW277.13 g/mol
LogP3.67
Rot. Bonds3

About 1-bromo-5-(2-fluoropropan-2-yl)-2,3-dimethoxybenzene

1-bromo-5-(2-fluoropropan-2-yl)-2,3-dimethoxybenzene (PubChem CID 84714628) has the molecular formula C11H14BrFO2 and a molecular weight of 277.13 g/mol. Its IUPAC name is 1-bromo-5-(2-fluoropropan-2-yl)-2,3-dimethoxybenzene.

Molecular Properties

Compound Name1-bromo-5-(2-fluoropropan-2-yl)-2,3-dimethoxybenzene
PubChem CID84714628
Molecular FormulaC11H14BrFO2
Molecular Weight277.13 g/mol
Exact Mass276.02
IUPAC Name1-bromo-5-(2-fluoropropan-2-yl)-2,3-dimethoxybenzene
SMILESCOc1cc(C(C)(C)F)cc(Br)c1OC
InChIInChI=1S/C11H14BrFO2/c1-11(2,13)7-5-8(12)10(15-4)9(6-7)14-3/h5-6H,1-4H3
InChIKeyKCXZLVPURWYFCK-UHFFFAOYSA-N
XLogP3.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.13
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-fluoropropan-2-yl)-2,3-dimethoxybenzonitrile
CID 117319407
2-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]propan-1-amine
CID 117391698
1-bromo-1-(3,4,5-trimethoxyphenyl)ethanol
CID 175796351
2-(3-bromo-5-ethoxy-4-methoxyphenyl)propan-2-amine
CID 117465357
2-[2-bromo-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol
CID 117498005
[1-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]cyclopentyl]methanamine
CID 117476110
4-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]-1,2-oxazol-5-amine
CID 117449841
1,5-dibromo-2-(3,5-dibromo-2-methoxyphenoxy)-3-methoxybenzene
CID 11978812
4-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]-1-methylpyrazol-5-amine
CID 117473364
1-(2-fluoropropan-2-yl)-3,5-dimethoxybenzene
CID 90993757
1-bromo-2-methoxy-3-methylsulfanyl-5-(trifluoromethyl)benzene
CID 164895108
2-[3-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]propan-2-ol
CID 117404583

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-(2-fluoropropan-2-yl)-2,3-dimethoxybenzene?
The IUPAC name of 1-bromo-5-(2-fluoropropan-2-yl)-2,3-dimethoxybenzene (CID 84714628) is 1-bromo-5-(2-fluoropropan-2-yl)-2,3-dimethoxybenzene.
What is the SMILES notation for 1-bromo-5-(2-fluoropropan-2-yl)-2,3-dimethoxybenzene?
The canonical SMILES for 1-bromo-5-(2-fluoropropan-2-yl)-2,3-dimethoxybenzene is COc1cc(C(C)(C)F)cc(Br)c1OC.
What is the InChIKey of 1-bromo-5-(2-fluoropropan-2-yl)-2,3-dimethoxybenzene?
The InChIKey is KCXZLVPURWYFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFO2/c1-11(2,13)7-5-8(12)10(15-4)9(6-7)14-3/h5-6H,1-4H3.
What are the key properties of 1-bromo-5-(2-fluoropropan-2-yl)-2,3-dimethoxybenzene?
1-bromo-5-(2-fluoropropan-2-yl)-2,3-dimethoxybenzene has a molecular weight of 277.13 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-(2-fluoropropan-2-yl)-2,3-dimethoxybenzene is sourced from PubChem (CID 84714628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).