2-(3,4-difluorophenyl)-1-(5-methyloxolan-3-yl)ethanol

C13H16F2O2 — CID 114822937

IUPAC2-(3,4-difluorophenyl)-1-(5-methyloxolan-3-yl)ethanol
SMILESCC1CC(C(O)Cc2ccc(F)c(F)c2)CO1
InChIInChI=1S/C13H16F2O2/c1-8-4-10(7-17-8)13(16)6-9-2-3-11(14)12(15)5-9/h2-3,5,8,10,13,16H,4,6-7H2,1H3
InChIKeyKZCDVFUHIFGQIL-UHFFFAOYSA-N
MW242.26 g/mol
LogP2.29
Rot. Bonds3

About 2-(3,4-difluorophenyl)-1-(5-methyloxolan-3-yl)ethanol

2-(3,4-difluorophenyl)-1-(5-methyloxolan-3-yl)ethanol (PubChem CID 114822937) has the molecular formula C13H16F2O2 and a molecular weight of 242.26 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-1-(5-methyloxolan-3-yl)ethanol.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-1-(5-methyloxolan-3-yl)ethanol
PubChem CID114822937
Molecular FormulaC13H16F2O2
Molecular Weight242.26 g/mol
Exact Mass242.11
IUPAC Name2-(3,4-difluorophenyl)-1-(5-methyloxolan-3-yl)ethanol
SMILESCC1CC(C(O)Cc2ccc(F)c(F)c2)CO1
InChIInChI=1S/C13H16F2O2/c1-8-4-10(7-17-8)13(16)6-9-2-3-11(14)12(15)5-9/h2-3,5,8,10,13,16H,4,6-7H2,1H3
InChIKeyKZCDVFUHIFGQIL-UHFFFAOYSA-N
XLogP2.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanol
CID 115806040
2-(5-bromo-2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanol
CID 115784886
2-(3-bromo-4-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethanol
CID 115779418
2-(3,4-difluorophenyl)-1-(3-methylcyclohexyl)ethanol
CID 82920862
(3,4-difluorophenyl)-(5-methyloxolan-3-yl)methanol
CID 114826691
5-[1-(3,4-difluorophenyl)-3,3-difluorobutan-2-yl]-2-methyloxane
CID 123657506
2-(3-bromo-4-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanamine
CID 115819109
1-(5-methyloxolan-3-yl)propan-1-ol
CID 115787725
2-(furan-2-yl)-1-(5-methyloxolan-3-yl)ethanol
CID 115830123
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
CID 107892140
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethanamine
CID 115830037
(5-bromo-2-fluorophenyl)-(5-methyloxolan-3-yl)methanol
CID 115820673

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-1-(5-methyloxolan-3-yl)ethanol?
The IUPAC name of 2-(3,4-difluorophenyl)-1-(5-methyloxolan-3-yl)ethanol (CID 114822937) is 2-(3,4-difluorophenyl)-1-(5-methyloxolan-3-yl)ethanol.
What is the SMILES notation for 2-(3,4-difluorophenyl)-1-(5-methyloxolan-3-yl)ethanol?
The canonical SMILES for 2-(3,4-difluorophenyl)-1-(5-methyloxolan-3-yl)ethanol is CC1CC(C(O)Cc2ccc(F)c(F)c2)CO1.
What is the InChIKey of 2-(3,4-difluorophenyl)-1-(5-methyloxolan-3-yl)ethanol?
The InChIKey is KZCDVFUHIFGQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2O2/c1-8-4-10(7-17-8)13(16)6-9-2-3-11(14)12(15)5-9/h2-3,5,8,10,13,16H,4,6-7H2,1H3.
What are the key properties of 2-(3,4-difluorophenyl)-1-(5-methyloxolan-3-yl)ethanol?
2-(3,4-difluorophenyl)-1-(5-methyloxolan-3-yl)ethanol has a molecular weight of 242.26 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-1-(5-methyloxolan-3-yl)ethanol is sourced from PubChem (CID 114822937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).