2-(1-bromo-2,2-difluoroethyl)-1,3,5-triethylbenzene

C14H19BrF2 — CID 103514641

IUPAC2-(1-bromo-2,2-difluoroethyl)-1,3,5-triethylbenzene
SMILESCCc1cc(CC)c(C(Br)C(F)F)c(CC)c1
InChIInChI=1S/C14H19BrF2/c1-4-9-7-10(5-2)12(11(6-3)8-9)13(15)14(16)17/h7-8,13-14H,4-6H2,1-3H3
InChIKeyHCZMGUJLAIYFLL-UHFFFAOYSA-N
MW305.21 g/mol
LogP5.07
Rot. Bonds5

About 2-(1-bromo-2,2-difluoroethyl)-1,3,5-triethylbenzene

2-(1-bromo-2,2-difluoroethyl)-1,3,5-triethylbenzene (PubChem CID 103514641) has the molecular formula C14H19BrF2 and a molecular weight of 305.21 g/mol. Its IUPAC name is 2-(1-bromo-2,2-difluoroethyl)-1,3,5-triethylbenzene.

Molecular Properties

Compound Name2-(1-bromo-2,2-difluoroethyl)-1,3,5-triethylbenzene
PubChem CID103514641
Molecular FormulaC14H19BrF2
Molecular Weight305.21 g/mol
Exact Mass304.06
IUPAC Name2-(1-bromo-2,2-difluoroethyl)-1,3,5-triethylbenzene
SMILESCCc1cc(CC)c(C(Br)C(F)F)c(CC)c1
InChIInChI=1S/C14H19BrF2/c1-4-9-7-10(5-2)12(11(6-3)8-9)13(15)14(16)17/h7-8,13-14H,4-6H2,1-3H3
InChIKeyHCZMGUJLAIYFLL-UHFFFAOYSA-N
XLogP5.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.21
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2,4,6-triethylphenyl)aluminum(2+)
CID 22768319
2-propyl-1-(2,4,6-triethylphenyl)pentan-1-amine
CID 82984763
2-methylsulfonyl-1-(2,4,6-triethylphenyl)propan-1-amine
CID 104519089
1,3,5-triethyl-2-(2,4,6-triethylphenyl)sulfonylbenzene
CID 56983277
N'-[2-amino-2-(2,4,6-triethylphenyl)ethyl]-1-(2,6-dimethylphenyl)ethane-1,2-diamine
CID 66808796
2-tert-butyl-1,3,5-triethylbenzene
CID 140660512
2-(difluoromethyl)-1,4-diethylbenzene
CID 143346890
2-(1-bromo-2,2,3,3-tetrafluoropropyl)-1,4-diethylbenzene
CID 79659672
1-[4-(difluoromethyl)-3-ethyl-5-methylphenyl]ethanone
CID 131626156
(2,5-dichlorothiophen-3-yl)-(2,4,6-triethylphenyl)methanol
CID 107964351
lithium;hydride;1,3,5-triethylbenzene
CID 174873379
3,5-diethyl-2-methylaniline
CID 105432272

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromo-2,2-difluoroethyl)-1,3,5-triethylbenzene?
The IUPAC name of 2-(1-bromo-2,2-difluoroethyl)-1,3,5-triethylbenzene (CID 103514641) is 2-(1-bromo-2,2-difluoroethyl)-1,3,5-triethylbenzene.
What is the SMILES notation for 2-(1-bromo-2,2-difluoroethyl)-1,3,5-triethylbenzene?
The canonical SMILES for 2-(1-bromo-2,2-difluoroethyl)-1,3,5-triethylbenzene is CCc1cc(CC)c(C(Br)C(F)F)c(CC)c1.
What is the InChIKey of 2-(1-bromo-2,2-difluoroethyl)-1,3,5-triethylbenzene?
The InChIKey is HCZMGUJLAIYFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrF2/c1-4-9-7-10(5-2)12(11(6-3)8-9)13(15)14(16)17/h7-8,13-14H,4-6H2,1-3H3.
What are the key properties of 2-(1-bromo-2,2-difluoroethyl)-1,3,5-triethylbenzene?
2-(1-bromo-2,2-difluoroethyl)-1,3,5-triethylbenzene has a molecular weight of 305.21 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromo-2,2-difluoroethyl)-1,3,5-triethylbenzene is sourced from PubChem (CID 103514641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).