1-(2,6-difluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-ol

C15H20F2O2 — CID 103166461

IUPAC1-(2,6-difluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-ol
SMILESCCOC1CC(CC(O)Cc2c(F)cccc2F)C1
InChIInChI=1S/C15H20F2O2/c1-2-19-12-7-10(8-12)6-11(18)9-13-14(16)4-3-5-15(13)17/h3-5,10-12,18H,2,6-9H2,1H3
InChIKeyBIGCUBZOJDYXEF-UHFFFAOYSA-N
MW270.32 g/mol
LogP3.07
Rot. Bonds6

About 1-(2,6-difluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-ol

1-(2,6-difluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-ol (PubChem CID 103166461) has the molecular formula C15H20F2O2 and a molecular weight of 270.32 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-ol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-ol
PubChem CID103166461
Molecular FormulaC15H20F2O2
Molecular Weight270.32 g/mol
Exact Mass270.14
IUPAC Name1-(2,6-difluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-ol
SMILESCCOC1CC(CC(O)Cc2c(F)cccc2F)C1
InChIInChI=1S/C15H20F2O2/c1-2-19-12-7-10(8-12)6-11(18)9-13-14(16)4-3-5-15(13)17/h3-5,10-12,18H,2,6-9H2,1H3
InChIKeyBIGCUBZOJDYXEF-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-difluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-ol
CID 103166460
1-(2-chloro-6-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine
CID 103164119
1-(2,6-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103170312
1-(3,4-difluorophenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103165377
1-(2-chloro-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-amine
CID 103169422
1-(3-ethoxycyclobutyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 103164148
1-(2-bromo-3-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine
CID 103169265
[1-(2-bromo-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine
CID 103170713
1-(2,4-difluoro-5-methylphenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103165491
2-(3-ethoxycyclobutyl)-1-(4-propan-2-ylphenyl)ethanol
CID 103165426
2-(3-ethoxycyclobutyl)-1-(2-methoxyphenyl)ethanol
CID 103169884
2-(3-ethoxycyclobutyl)-1-(3-ethoxyphenyl)ethanol
CID 103170186

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-ol?
The IUPAC name of 1-(2,6-difluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-ol (CID 103166461) is 1-(2,6-difluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-ol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-ol?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-ol is CCOC1CC(CC(O)Cc2c(F)cccc2F)C1.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-ol?
The InChIKey is BIGCUBZOJDYXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2O2/c1-2-19-12-7-10(8-12)6-11(18)9-13-14(16)4-3-5-15(13)17/h3-5,10-12,18H,2,6-9H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-ol?
1-(2,6-difluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-ol has a molecular weight of 270.32 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-ol is sourced from PubChem (CID 103166461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).