2-(2,5-dichlorophenyl)-1-(4,4-difluorocyclohexyl)ethanol

C14H16Cl2F2O — CID 105100405

IUPAC2-(2,5-dichlorophenyl)-1-(4,4-difluorocyclohexyl)ethanol
SMILESOC(Cc1cc(Cl)ccc1Cl)C1CCC(F)(F)CC1
InChIInChI=1S/C14H16Cl2F2O/c15-11-1-2-12(16)10(7-11)8-13(19)9-3-5-14(17,18)6-4-9/h1-2,7,9,13,19H,3-6,8H2
InChIKeyOGBWIAGWIMTGRS-UHFFFAOYSA-N
MW309.18 g/mol
LogP4.72
Rot. Bonds3

About 2-(2,5-dichlorophenyl)-1-(4,4-difluorocyclohexyl)ethanol

2-(2,5-dichlorophenyl)-1-(4,4-difluorocyclohexyl)ethanol (PubChem CID 105100405) has the molecular formula C14H16Cl2F2O and a molecular weight of 309.18 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-1-(4,4-difluorocyclohexyl)ethanol.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-1-(4,4-difluorocyclohexyl)ethanol
PubChem CID105100405
Molecular FormulaC14H16Cl2F2O
Molecular Weight309.18 g/mol
Exact Mass308.05
IUPAC Name2-(2,5-dichlorophenyl)-1-(4,4-difluorocyclohexyl)ethanol
SMILESOC(Cc1cc(Cl)ccc1Cl)C1CCC(F)(F)CC1
InChIInChI=1S/C14H16Cl2F2O/c15-11-1-2-12(16)10(7-11)8-13(19)9-3-5-14(17,18)6-4-9/h1-2,7,9,13,19H,3-6,8H2
InChIKeyOGBWIAGWIMTGRS-UHFFFAOYSA-N
XLogP4.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.18
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclobutyl-2-(2,5-dichlorophenyl)ethanol
CID 65321223
1-cycloheptyl-2-(2,5-dichlorophenyl)ethanol
CID 65399864
2-(2-chloro-5-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol
CID 102618021
2-(2,5-dichlorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanol
CID 65411173
2-(2,5-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)ethanol
CID 115336404
2-(2,5-dichlorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
CID 115801998
1-cyclopropyl-3-(2,5-dichlorophenyl)propan-1-ol
CID 64515130
2-(4-chloro-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 114854696
2-(2-bromo-5-fluorophenyl)-1-(4,4-difluorocyclohexyl)ethanol
CID 105088370
(2,5-dichlorophenyl)-(4,4-difluorocyclohexyl)methanamine
CID 105142294
2-(4-chloro-2-fluorophenyl)-1-cycloheptylethanol
CID 114852326
2-(2,5-dichlorophenyl)-1-(thiolan-2-yl)ethanol
CID 80622903

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-1-(4,4-difluorocyclohexyl)ethanol?
The IUPAC name of 2-(2,5-dichlorophenyl)-1-(4,4-difluorocyclohexyl)ethanol (CID 105100405) is 2-(2,5-dichlorophenyl)-1-(4,4-difluorocyclohexyl)ethanol.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-1-(4,4-difluorocyclohexyl)ethanol?
The canonical SMILES for 2-(2,5-dichlorophenyl)-1-(4,4-difluorocyclohexyl)ethanol is OC(Cc1cc(Cl)ccc1Cl)C1CCC(F)(F)CC1.
What is the InChIKey of 2-(2,5-dichlorophenyl)-1-(4,4-difluorocyclohexyl)ethanol?
The InChIKey is OGBWIAGWIMTGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2F2O/c15-11-1-2-12(16)10(7-11)8-13(19)9-3-5-14(17,18)6-4-9/h1-2,7,9,13,19H,3-6,8H2.
What are the key properties of 2-(2,5-dichlorophenyl)-1-(4,4-difluorocyclohexyl)ethanol?
2-(2,5-dichlorophenyl)-1-(4,4-difluorocyclohexyl)ethanol has a molecular weight of 309.18 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-1-(4,4-difluorocyclohexyl)ethanol is sourced from PubChem (CID 105100405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).