1-(3-bromo-2,6-difluorophenyl)-2-cyclopropylethane-1,2-diol

C11H11BrF2O2 — CID 106942151

IUPAC1-(3-bromo-2,6-difluorophenyl)-2-cyclopropylethane-1,2-diol
SMILESOC(c1c(F)ccc(Br)c1F)C(O)C1CC1
InChIInChI=1S/C11H11BrF2O2/c12-6-3-4-7(13)8(9(6)14)11(16)10(15)5-1-2-5/h3-5,10-11,15-16H,1-2H2
InChIKeyYJTFEUUSIPIGIJ-UHFFFAOYSA-N
MW293.11 g/mol
LogP2.53
Rot. Bonds3

About 1-(3-bromo-2,6-difluorophenyl)-2-cyclopropylethane-1,2-diol

1-(3-bromo-2,6-difluorophenyl)-2-cyclopropylethane-1,2-diol (PubChem CID 106942151) has the molecular formula C11H11BrF2O2 and a molecular weight of 293.11 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)-2-cyclopropylethane-1,2-diol.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-2-cyclopropylethane-1,2-diol
PubChem CID106942151
Molecular FormulaC11H11BrF2O2
Molecular Weight293.11 g/mol
Exact Mass291.99
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-2-cyclopropylethane-1,2-diol
SMILESOC(c1c(F)ccc(Br)c1F)C(O)C1CC1
InChIInChI=1S/C11H11BrF2O2/c12-6-3-4-7(13)8(9(6)14)11(16)10(15)5-1-2-5/h3-5,10-11,15-16H,1-2H2
InChIKeyYJTFEUUSIPIGIJ-UHFFFAOYSA-N
XLogP2.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.11
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 106945185
[(3-bromo-2,6-difluorophenyl)-cyclopropylmethyl]hydrazine
CID 106945257
(R)-(3-bromo-2,6-difluorophenyl)-cyclobutylmethanamine
CID 131561213
1-(3-bromo-2,6-difluorophenyl)-2-cyclohexyl-2-ethoxyethanol
CID 106942130
(3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 106944937
(3-bromo-2,6-difluorophenyl)-(thiolan-3-yl)methanamine
CID 106944590
1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 106942370
cyclopropyl-(2,3,6-trifluorophenyl)methanol
CID 139965789
(3-bromo-2,6-difluorophenyl)-(4,4-dimethylcyclohexyl)methanamine
CID 106942605
(3-bromo-2,6-difluorophenyl)-(4,4-difluorocyclohexyl)methanamine
CID 106944847
1-(3-bromo-2,6-difluorophenyl)-2-cycloheptylethanamine
CID 106944608
1-(3-bromo-2,6-difluorophenyl)-2-chloro-2,2-difluoroethanol
CID 106942092

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-2-cyclopropylethane-1,2-diol?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-2-cyclopropylethane-1,2-diol (CID 106942151) is 1-(3-bromo-2,6-difluorophenyl)-2-cyclopropylethane-1,2-diol.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-2-cyclopropylethane-1,2-diol?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-2-cyclopropylethane-1,2-diol is OC(c1c(F)ccc(Br)c1F)C(O)C1CC1.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-2-cyclopropylethane-1,2-diol?
The InChIKey is YJTFEUUSIPIGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF2O2/c12-6-3-4-7(13)8(9(6)14)11(16)10(15)5-1-2-5/h3-5,10-11,15-16H,1-2H2.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-2-cyclopropylethane-1,2-diol?
1-(3-bromo-2,6-difluorophenyl)-2-cyclopropylethane-1,2-diol has a molecular weight of 293.11 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,6-difluorophenyl)-2-cyclopropylethane-1,2-diol is sourced from PubChem (CID 106942151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).