1-(3,4-difluorophenyl)-2-(3-ethoxycyclobutyl)ethanol

C14H18F2O2 — CID 103165377

IUPAC1-(3,4-difluorophenyl)-2-(3-ethoxycyclobutyl)ethanol
SMILESCCOC1CC(CC(O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C14H18F2O2/c1-2-18-11-5-9(6-11)7-14(17)10-3-4-12(15)13(16)8-10/h3-4,8-9,11,14,17H,2,5-7H2,1H3
InChIKeyAHJZQZCDHLMFFJ-UHFFFAOYSA-N
MW256.29 g/mol
LogP3.20
Rot. Bonds5

About 1-(3,4-difluorophenyl)-2-(3-ethoxycyclobutyl)ethanol

1-(3,4-difluorophenyl)-2-(3-ethoxycyclobutyl)ethanol (PubChem CID 103165377) has the molecular formula C14H18F2O2 and a molecular weight of 256.29 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-(3-ethoxycyclobutyl)ethanol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-(3-ethoxycyclobutyl)ethanol
PubChem CID103165377
Molecular FormulaC14H18F2O2
Molecular Weight256.29 g/mol
Exact Mass256.13
IUPAC Name1-(3,4-difluorophenyl)-2-(3-ethoxycyclobutyl)ethanol
SMILESCCOC1CC(CC(O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C14H18F2O2/c1-2-18-11-5-9(6-11)7-14(17)10-3-4-12(15)13(16)8-10/h3-4,8-9,11,14,17H,2,5-7H2,1H3
InChIKeyAHJZQZCDHLMFFJ-UHFFFAOYSA-N
XLogP3.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
CID 103162822
2-(3-ethoxycyclobutyl)-1-(4-propan-2-ylphenyl)ethanol
CID 103165426
2-(3-ethoxycyclobutyl)-1-(3-fluoro-5-methylphenyl)ethanol
CID 103170158
2-(3-ethoxycyclobutyl)-1-(3-ethoxyphenyl)ethanol
CID 103170186
1-(3-cyclopropyloxyphenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103170310
1-(2,4-difluoro-5-methylphenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103165491
1-(3-bromo-4-fluorophenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine
CID 103163219
1-(2,6-difluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-ol
CID 103166461
(1R)-1-(3,4-difluorophenyl)propan-1-ol
CID 58995112
(1R)-1-(3,4-difluorophenyl)propan-1-ol;(1S)-1-(3,4-difluorophenyl)propan-1-ol
CID 159931966
4-amino-3-(4-chlorophenyl)-1-(3-ethoxycyclobutyl)butan-2-ol
CID 103167190
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103165503

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-(3-ethoxycyclobutyl)ethanol?
The IUPAC name of 1-(3,4-difluorophenyl)-2-(3-ethoxycyclobutyl)ethanol (CID 103165377) is 1-(3,4-difluorophenyl)-2-(3-ethoxycyclobutyl)ethanol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-(3-ethoxycyclobutyl)ethanol?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-(3-ethoxycyclobutyl)ethanol is CCOC1CC(CC(O)c2ccc(F)c(F)c2)C1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-(3-ethoxycyclobutyl)ethanol?
The InChIKey is AHJZQZCDHLMFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2O2/c1-2-18-11-5-9(6-11)7-14(17)10-3-4-12(15)13(16)8-10/h3-4,8-9,11,14,17H,2,5-7H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-(3-ethoxycyclobutyl)ethanol?
1-(3,4-difluorophenyl)-2-(3-ethoxycyclobutyl)ethanol has a molecular weight of 256.29 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-(3-ethoxycyclobutyl)ethanol is sourced from PubChem (CID 103165377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).