2,3-dibromo-1,5-difluoro-4-(2-methylpropyl)benzene

C10H10Br2F2 — CID 134387814

IUPAC2,3-dibromo-1,5-difluoro-4-(2-methylpropyl)benzene
SMILESCC(C)Cc1c(F)cc(F)c(Br)c1Br
InChIInChI=1S/C10H10Br2F2/c1-5(2)3-6-7(13)4-8(14)10(12)9(6)11/h4-5H,3H2,1-2H3
InChIKeyURDBMWXNYGEVEV-UHFFFAOYSA-N
MW327.99 g/mol
LogP4.69
Rot. Bonds2

About 2,3-dibromo-1,5-difluoro-4-(2-methylpropyl)benzene

2,3-dibromo-1,5-difluoro-4-(2-methylpropyl)benzene (PubChem CID 134387814) has the molecular formula C10H10Br2F2 and a molecular weight of 327.99 g/mol. Its IUPAC name is 2,3-dibromo-1,5-difluoro-4-(2-methylpropyl)benzene.

Molecular Properties

Compound Name2,3-dibromo-1,5-difluoro-4-(2-methylpropyl)benzene
PubChem CID134387814
Molecular FormulaC10H10Br2F2
Molecular Weight327.99 g/mol
Exact Mass325.91
IUPAC Name2,3-dibromo-1,5-difluoro-4-(2-methylpropyl)benzene
SMILESCC(C)Cc1c(F)cc(F)c(Br)c1Br
InChIInChI=1S/C10H10Br2F2/c1-5(2)3-6-7(13)4-8(14)10(12)9(6)11/h4-5H,3H2,1-2H3
InChIKeyURDBMWXNYGEVEV-UHFFFAOYSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.99
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromo-2,4,6-trifluorophenyl)-2-methylpropan-2-amine
CID 117452947
1-ethyl-2,3,5-trifluoro-4-(2-methylpropyl)benzene
CID 139904745
5-bromo-N-ethyl-6,8-difluoro-2-(2-methylpropyl)quinolin-4-amine
CID 102854999
1-(2-bromo-3,6-difluorophenyl)propan-2-amine
CID 127010991
1-(3-bromo-4-fluoro-2,6-dimethylphenyl)propan-2-amine
CID 130980809
2-bromo-4-fluoro-3-(2-hydroxypropyl)-6-methoxyphenol
CID 117447325
2-[(1R)-1-aminoethyl]-6-bromo-3,5-difluorophenol
CID 131053212
3-bromo-6-fluoro-2-(2-methylpropyl)benzaldehyde
CID 123976230
4-(2-aminopropyl)-3-bromo-5-fluoro-2-methoxyphenol
CID 117445537
1-(4-bromo-2,3,5-trifluorophenyl)propan-2-ol
CID 117114546
ethane;1,2,3-trifluoro-5-(2-methylpropyl)benzene
CID 145128003
1,3-difluoro-2-(2-methylpropyl)benzene;1,2,4,5-tetrafluoro-3-propan-2-yloxybenzene
CID 170570602

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-1,5-difluoro-4-(2-methylpropyl)benzene?
The IUPAC name of 2,3-dibromo-1,5-difluoro-4-(2-methylpropyl)benzene (CID 134387814) is 2,3-dibromo-1,5-difluoro-4-(2-methylpropyl)benzene.
What is the SMILES notation for 2,3-dibromo-1,5-difluoro-4-(2-methylpropyl)benzene?
The canonical SMILES for 2,3-dibromo-1,5-difluoro-4-(2-methylpropyl)benzene is CC(C)Cc1c(F)cc(F)c(Br)c1Br.
What is the InChIKey of 2,3-dibromo-1,5-difluoro-4-(2-methylpropyl)benzene?
The InChIKey is URDBMWXNYGEVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2F2/c1-5(2)3-6-7(13)4-8(14)10(12)9(6)11/h4-5H,3H2,1-2H3.
What are the key properties of 2,3-dibromo-1,5-difluoro-4-(2-methylpropyl)benzene?
2,3-dibromo-1,5-difluoro-4-(2-methylpropyl)benzene has a molecular weight of 327.99 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-1,5-difluoro-4-(2-methylpropyl)benzene is sourced from PubChem (CID 134387814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).