1-(3-bromo-2,6-difluorophenyl)-2-cyclohexyl-2-ethoxyethanol

C16H21BrF2O2 — CID 106942130

IUPAC1-(3-bromo-2,6-difluorophenyl)-2-cyclohexyl-2-ethoxyethanol
SMILESCCOC(C1CCCCC1)C(O)c1c(F)ccc(Br)c1F
InChIInChI=1S/C16H21BrF2O2/c1-2-21-16(10-6-4-3-5-7-10)15(20)13-12(18)9-8-11(17)14(13)19/h8-10,15-16,20H,2-7H2,1H3
InChIKeyXPIWSEKDLSUGRF-UHFFFAOYSA-N
MW363.24 g/mol
LogP4.75
Rot. Bonds5

About 1-(3-bromo-2,6-difluorophenyl)-2-cyclohexyl-2-ethoxyethanol

1-(3-bromo-2,6-difluorophenyl)-2-cyclohexyl-2-ethoxyethanol (PubChem CID 106942130) has the molecular formula C16H21BrF2O2 and a molecular weight of 363.24 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)-2-cyclohexyl-2-ethoxyethanol.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-2-cyclohexyl-2-ethoxyethanol
PubChem CID106942130
Molecular FormulaC16H21BrF2O2
Molecular Weight363.24 g/mol
Exact Mass362.07
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-2-cyclohexyl-2-ethoxyethanol
SMILESCCOC(C1CCCCC1)C(O)c1c(F)ccc(Br)c1F
InChIInChI=1S/C16H21BrF2O2/c1-2-21-16(10-6-4-3-5-7-10)15(20)13-12(18)9-8-11(17)14(13)19/h8-10,15-16,20H,2-7H2,1H3
InChIKeyXPIWSEKDLSUGRF-UHFFFAOYSA-N
XLogP4.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-bromo-2,6-difluorophenyl)-2-cyclohexyl-2-ethoxyethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclohexyl-1-(3,5-difluorophenyl)-2-ethoxyethanol
CID 116756591
2-cyclohexyl-1-(2,6-difluoro-3-methylphenyl)-2-methoxyethanol
CID 116756278
3-(2-bromo-5-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine
CID 116771947
1-(3-bromo-2,6-difluorophenyl)-2-cyclopropylethane-1,2-diol
CID 106942151
2-cyclohexyl-1-cyclopentyl-2-ethoxyethanol
CID 116756693
(3-bromo-2,6-difluorophenyl)-(1-ethoxycyclohexyl)methanol
CID 106942119
3-(3-bromo-4-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine
CID 116772018
1-cyclohexyl-3-(2,6-difluorophenyl)-1-ethoxypropan-2-ol
CID 114931734
1-(3-bromo-2,6-difluorophenyl)-2-cycloheptylethanamine
CID 106944608
(R)-(3-bromo-2,6-difluorophenyl)-cyclobutylmethanamine
CID 131561213
1-(3-bromo-2,6-difluorophenyl)-2,2-diethoxyethanamine
CID 106942803
2-cyclohexyl-1-(2,5-dimethylphenyl)-2-ethoxyethanol
CID 116756745

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-2-cyclohexyl-2-ethoxyethanol?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-2-cyclohexyl-2-ethoxyethanol (CID 106942130) is 1-(3-bromo-2,6-difluorophenyl)-2-cyclohexyl-2-ethoxyethanol.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-2-cyclohexyl-2-ethoxyethanol?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-2-cyclohexyl-2-ethoxyethanol is CCOC(C1CCCCC1)C(O)c1c(F)ccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-2-cyclohexyl-2-ethoxyethanol?
The InChIKey is XPIWSEKDLSUGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrF2O2/c1-2-21-16(10-6-4-3-5-7-10)15(20)13-12(18)9-8-11(17)14(13)19/h8-10,15-16,20H,2-7H2,1H3.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-2-cyclohexyl-2-ethoxyethanol?
1-(3-bromo-2,6-difluorophenyl)-2-cyclohexyl-2-ethoxyethanol has a molecular weight of 363.24 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,6-difluorophenyl)-2-cyclohexyl-2-ethoxyethanol is sourced from PubChem (CID 106942130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).