1-bromo-4-(2,2-dimethylpropyl)-2-fluorobenzene

C11H14BrF — CID 168841969

IUPAC1-bromo-4-(2,2-dimethylpropyl)-2-fluorobenzene
SMILESCC(C)(C)Cc1ccc(Br)c(F)c1
InChIInChI=1S/C11H14BrF/c1-11(2,3)7-8-4-5-9(12)10(13)6-8/h4-6H,7H2,1-3H3
InChIKeyUYHKQKNQOSSWLD-UHFFFAOYSA-N
MW245.13 g/mol
LogP4.18
Rot. Bonds1

About 1-bromo-4-(2,2-dimethylpropyl)-2-fluorobenzene

1-bromo-4-(2,2-dimethylpropyl)-2-fluorobenzene (PubChem CID 168841969) has the molecular formula C11H14BrF and a molecular weight of 245.13 g/mol. Its IUPAC name is 1-bromo-4-(2,2-dimethylpropyl)-2-fluorobenzene.

Molecular Properties

Compound Name1-bromo-4-(2,2-dimethylpropyl)-2-fluorobenzene
PubChem CID168841969
Molecular FormulaC11H14BrF
Molecular Weight245.13 g/mol
Exact Mass244.03
IUPAC Name1-bromo-4-(2,2-dimethylpropyl)-2-fluorobenzene
SMILESCC(C)(C)Cc1ccc(Br)c(F)c1
InChIInChI=1S/C11H14BrF/c1-11(2,3)7-8-4-5-9(12)10(13)6-8/h4-6H,7H2,1-3H3
InChIKeyUYHKQKNQOSSWLD-UHFFFAOYSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.13
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-4-(2,2-dimethylbutyl)-2-fluorobenzene
CID 175615022
N-[(4-bromo-3-fluorophenyl)methyl]-3,5-dimethylaniline
CID 81436699
4-(2,2-dimethylpropyl)-2-fluoro-1-propan-2-ylbenzene
CID 59139797
2-bromo-1-tert-butyl-4-(2,2-dimethylpropyl)benzene
CID 59376441
2-(4-bromo-3-fluorophenyl)ethanamine
CID 66915310
N-[(4-bromo-3-fluorophenyl)methyl]-2-methylbut-3-yn-2-amine
CID 81436932
N-[(4-bromo-3-fluorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 115702697
4-bromo-N-(2,2-dimethylpropyl)-3-fluoroaniline
CID 65436695
1-[(4-bromo-3-fluorophenyl)methylamino]-2-methylpentan-2-ol
CID 103773692
3-[(4-bromo-3-fluorophenyl)methylamino]-3-methylbutan-1-ol
CID 115702691
N-[(4-bromo-3-fluorophenyl)methyl]-2-cyclopropylpropan-2-amine
CID 103773729
N-[(4-bromo-3-fluorophenyl)methyl]-4,4,4-trifluorobutan-2-amine
CID 103779657

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(2,2-dimethylpropyl)-2-fluorobenzene?
The IUPAC name of 1-bromo-4-(2,2-dimethylpropyl)-2-fluorobenzene (CID 168841969) is 1-bromo-4-(2,2-dimethylpropyl)-2-fluorobenzene.
What is the SMILES notation for 1-bromo-4-(2,2-dimethylpropyl)-2-fluorobenzene?
The canonical SMILES for 1-bromo-4-(2,2-dimethylpropyl)-2-fluorobenzene is CC(C)(C)Cc1ccc(Br)c(F)c1.
What is the InChIKey of 1-bromo-4-(2,2-dimethylpropyl)-2-fluorobenzene?
The InChIKey is UYHKQKNQOSSWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF/c1-11(2,3)7-8-4-5-9(12)10(13)6-8/h4-6H,7H2,1-3H3.
What are the key properties of 1-bromo-4-(2,2-dimethylpropyl)-2-fluorobenzene?
1-bromo-4-(2,2-dimethylpropyl)-2-fluorobenzene has a molecular weight of 245.13 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(2,2-dimethylpropyl)-2-fluorobenzene is sourced from PubChem (CID 168841969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).