1-(2,3-difluorophenyl)-5-(oxolan-2-yl)pentan-2-ol

C15H20F2O2 — CID 115808969

IUPAC1-(2,3-difluorophenyl)-5-(oxolan-2-yl)pentan-2-ol
SMILESOC(CCCC1CCCO1)Cc1cccc(F)c1F
InChIInChI=1S/C15H20F2O2/c16-14-8-1-4-11(15(14)17)10-12(18)5-2-6-13-7-3-9-19-13/h1,4,8,12-13,18H,2-3,5-7,9-10H2
InChIKeyAYAJSJXQNCDNJF-UHFFFAOYSA-N
MW270.32 g/mol
LogP3.22
Rot. Bonds6

About 1-(2,3-difluorophenyl)-5-(oxolan-2-yl)pentan-2-ol

1-(2,3-difluorophenyl)-5-(oxolan-2-yl)pentan-2-ol (PubChem CID 115808969) has the molecular formula C15H20F2O2 and a molecular weight of 270.32 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-5-(oxolan-2-yl)pentan-2-ol.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-5-(oxolan-2-yl)pentan-2-ol
PubChem CID115808969
Molecular FormulaC15H20F2O2
Molecular Weight270.32 g/mol
Exact Mass270.14
IUPAC Name1-(2,3-difluorophenyl)-5-(oxolan-2-yl)pentan-2-ol
SMILESOC(CCCC1CCCO1)Cc1cccc(F)c1F
InChIInChI=1S/C15H20F2O2/c16-14-8-1-4-11(15(14)17)10-12(18)5-2-6-13-7-3-9-19-13/h1,4,8,12-13,18H,2-3,5-7,9-10H2
InChIKeyAYAJSJXQNCDNJF-UHFFFAOYSA-N
XLogP3.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-difluorophenyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine
CID 104993032
1-(2,3-difluorophenyl)-5-(oxolan-2-yl)pentan-2-one
CID 114976783
1,3-bis(2,3-difluorophenyl)propan-2-ol
CID 115788900
1-(2,3-difluorophenyl)-4-(oxolan-2-yl)butan-1-one
CID 114976662
1-(2-fluorophenyl)-4-(oxolan-2-yl)butan-2-amine
CID 65164593
1-(2,3-difluorophenyl)dodecan-2-ol
CID 115789113
1-(2,6-dichlorophenyl)-4-(oxolan-2-yl)butan-1-ol
CID 65162393
4-(oxolan-2-yl)-1-phenylbutan-2-ol
CID 65162186
1-(4-chloro-3-fluorophenyl)-4-(oxolan-2-yl)butan-1-ol
CID 65161658
1-naphthalen-1-yl-5-(oxolan-2-yl)pentan-2-amine
CID 105156579
2-(2,3-difluorophenyl)-1-(oxan-4-yl)ethanol
CID 65149953
4-(oxolan-2-yl)-1-(3,4,5-trifluorophenyl)butan-1-amine
CID 65164140

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-5-(oxolan-2-yl)pentan-2-ol?
The IUPAC name of 1-(2,3-difluorophenyl)-5-(oxolan-2-yl)pentan-2-ol (CID 115808969) is 1-(2,3-difluorophenyl)-5-(oxolan-2-yl)pentan-2-ol.
What is the SMILES notation for 1-(2,3-difluorophenyl)-5-(oxolan-2-yl)pentan-2-ol?
The canonical SMILES for 1-(2,3-difluorophenyl)-5-(oxolan-2-yl)pentan-2-ol is OC(CCCC1CCCO1)Cc1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-5-(oxolan-2-yl)pentan-2-ol?
The InChIKey is AYAJSJXQNCDNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2O2/c16-14-8-1-4-11(15(14)17)10-12(18)5-2-6-13-7-3-9-19-13/h1,4,8,12-13,18H,2-3,5-7,9-10H2.
What are the key properties of 1-(2,3-difluorophenyl)-5-(oxolan-2-yl)pentan-2-ol?
1-(2,3-difluorophenyl)-5-(oxolan-2-yl)pentan-2-ol has a molecular weight of 270.32 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-5-(oxolan-2-yl)pentan-2-ol is sourced from PubChem (CID 115808969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).