[4-(2-bromoethyl)-2,3,5,6-tetrafluorophenyl]methanol

C9H7BrF4O — CID 151826929

IUPAC[4-(2-bromoethyl)-2,3,5,6-tetrafluorophenyl]methanol
SMILESOCc1c(F)c(F)c(CCBr)c(F)c1F
InChIInChI=1S/C9H7BrF4O/c10-2-1-4-6(11)8(13)5(3-15)9(14)7(4)12/h15H,1-3H2
InChIKeySDUXGALNEWSIBR-UHFFFAOYSA-N
MW287.05 g/mol
LogP2.67
Rot. Bonds3

About [4-(2-bromoethyl)-2,3,5,6-tetrafluorophenyl]methanol

[4-(2-bromoethyl)-2,3,5,6-tetrafluorophenyl]methanol (PubChem CID 151826929) has the molecular formula C9H7BrF4O and a molecular weight of 287.05 g/mol. Its IUPAC name is [4-(2-bromoethyl)-2,3,5,6-tetrafluorophenyl]methanol.

Molecular Properties

Compound Name[4-(2-bromoethyl)-2,3,5,6-tetrafluorophenyl]methanol
PubChem CID151826929
Molecular FormulaC9H7BrF4O
Molecular Weight287.05 g/mol
Exact Mass285.96
IUPAC Name[4-(2-bromoethyl)-2,3,5,6-tetrafluorophenyl]methanol
SMILESOCc1c(F)c(F)c(CCBr)c(F)c1F
InChIInChI=1S/C9H7BrF4O/c10-2-1-4-6(11)8(13)5(3-15)9(14)7(4)12/h15H,1-3H2
InChIKeySDUXGALNEWSIBR-UHFFFAOYSA-N
XLogP2.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.05
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(2-bromoethyl)-2,3,5,6-tetrafluorophenyl]methanol?
The IUPAC name of [4-(2-bromoethyl)-2,3,5,6-tetrafluorophenyl]methanol (CID 151826929) is [4-(2-bromoethyl)-2,3,5,6-tetrafluorophenyl]methanol.
What is the SMILES notation for [4-(2-bromoethyl)-2,3,5,6-tetrafluorophenyl]methanol?
The canonical SMILES for [4-(2-bromoethyl)-2,3,5,6-tetrafluorophenyl]methanol is OCc1c(F)c(F)c(CCBr)c(F)c1F.
What is the InChIKey of [4-(2-bromoethyl)-2,3,5,6-tetrafluorophenyl]methanol?
The InChIKey is SDUXGALNEWSIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF4O/c10-2-1-4-6(11)8(13)5(3-15)9(14)7(4)12/h15H,1-3H2.
What are the key properties of [4-(2-bromoethyl)-2,3,5,6-tetrafluorophenyl]methanol?
[4-(2-bromoethyl)-2,3,5,6-tetrafluorophenyl]methanol has a molecular weight of 287.05 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-bromoethyl)-2,3,5,6-tetrafluorophenyl]methanol is sourced from PubChem (CID 151826929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).