1-bromo-3,5-difluoro-2-[(2S)-pent-4-en-2-yl]oxybenzene

C11H11BrF2O — CID 118308830

IUPAC1-bromo-3,5-difluoro-2-[(2S)-pent-4-en-2-yl]oxybenzene
SMILESC=CC[C@H](C)Oc1c(F)cc(F)cc1Br
InChIInChI=1S/C11H11BrF2O/c1-3-4-7(2)15-11-9(12)5-8(13)6-10(11)14/h3,5-7H,1,4H2,2H3/t7-/m0/s1
InChIKeyVAKPERGJSRWAIU-ZETCQYMHSA-N
MW277.11 g/mol
LogP4.07
Rot. Bonds4

About 1-bromo-3,5-difluoro-2-[(2S)-pent-4-en-2-yl]oxybenzene

1-bromo-3,5-difluoro-2-[(2S)-pent-4-en-2-yl]oxybenzene (PubChem CID 118308830) has the molecular formula C11H11BrF2O and a molecular weight of 277.11 g/mol. Its IUPAC name is 1-bromo-3,5-difluoro-2-[(2S)-pent-4-en-2-yl]oxybenzene.

Molecular Properties

Compound Name1-bromo-3,5-difluoro-2-[(2S)-pent-4-en-2-yl]oxybenzene
PubChem CID118308830
Molecular FormulaC11H11BrF2O
Molecular Weight277.11 g/mol
Exact Mass276.00
IUPAC Name1-bromo-3,5-difluoro-2-[(2S)-pent-4-en-2-yl]oxybenzene
SMILESC=CC[C@H](C)Oc1c(F)cc(F)cc1Br
InChIInChI=1S/C11H11BrF2O/c1-3-4-7(2)15-11-9(12)5-8(13)6-10(11)14/h3,5-7H,1,4H2,2H3/t7-/m0/s1
InChIKeyVAKPERGJSRWAIU-ZETCQYMHSA-N
XLogP4.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.11
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-methyl-1-pent-4-en-2-yloxybenzene
CID 118325440
2-bromo-4-methoxy-1-pent-4-en-2-yloxybenzene
CID 118325435
2-bromo-4-methoxy-1-[(2S)-pent-4-en-2-yl]oxybenzene
CID 118316335
1-bromo-3,5-difluoro-2-(trideuteriomethoxy)benzene
CID 102571531
1-bromo-3,5-difluoro-2-prop-2-enylbenzene
CID 176770194
4-bromo-2-ethenyl-1-pent-4-en-2-yloxybenzene
CID 130287639
methyl 5-fluoro-2-pent-4-en-2-yloxybenzoate
CID 118307052
methyl 5-fluoro-2-[(2S)-pent-4-en-2-yl]oxybenzoate
CID 118318794
1-amino-3-(2-bromo-4,6-difluorophenoxy)propan-2-ol
CID 66793719
(3-bromo-5-fluoro-2-propan-2-yloxyphenyl)-dimethylborane
CID 58436927
1-bromo-2-cyclohexyloxy-3,5-difluorobenzene
CID 146004216
1-bromo-2-(1-bromoethyl)-3,5-difluorobenzene
CID 156856263

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3,5-difluoro-2-[(2S)-pent-4-en-2-yl]oxybenzene?
The IUPAC name of 1-bromo-3,5-difluoro-2-[(2S)-pent-4-en-2-yl]oxybenzene (CID 118308830) is 1-bromo-3,5-difluoro-2-[(2S)-pent-4-en-2-yl]oxybenzene.
What is the SMILES notation for 1-bromo-3,5-difluoro-2-[(2S)-pent-4-en-2-yl]oxybenzene?
The canonical SMILES for 1-bromo-3,5-difluoro-2-[(2S)-pent-4-en-2-yl]oxybenzene is C=CC[C@H](C)Oc1c(F)cc(F)cc1Br.
What is the InChIKey of 1-bromo-3,5-difluoro-2-[(2S)-pent-4-en-2-yl]oxybenzene?
The InChIKey is VAKPERGJSRWAIU-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H11BrF2O/c1-3-4-7(2)15-11-9(12)5-8(13)6-10(11)14/h3,5-7H,1,4H2,2H3/t7-/m0/s1.
What are the key properties of 1-bromo-3,5-difluoro-2-[(2S)-pent-4-en-2-yl]oxybenzene?
1-bromo-3,5-difluoro-2-[(2S)-pent-4-en-2-yl]oxybenzene has a molecular weight of 277.11 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3,5-difluoro-2-[(2S)-pent-4-en-2-yl]oxybenzene is sourced from PubChem (CID 118308830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).