1-(2,6-difluorophenyl)-3-(furan-2-yl)propan-2-ol

C13H12F2O2 — CID 115830159

IUPAC1-(2,6-difluorophenyl)-3-(furan-2-yl)propan-2-ol
SMILESOC(Cc1ccco1)Cc1c(F)cccc1F
InChIInChI=1S/C13H12F2O2/c14-12-4-1-5-13(15)11(12)8-9(16)7-10-3-2-6-17-10/h1-6,9,16H,7-8H2
InChIKeyDVWRQRAYOCADJB-UHFFFAOYSA-N
MW238.23 g/mol
LogP2.70
Rot. Bonds4

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

1-(2,6-difluorophenyl)-3-(furan-2-yl)propan-2-ol (PubChem CID 115830159) has the molecular formula C13H12F2O2 and a molecular weight of 238.23 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-(furan-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-(furan-2-yl)propan-2-ol
PubChem CID115830159
Molecular FormulaC13H12F2O2
Molecular Weight238.23 g/mol
Exact Mass238.08
IUPAC Name1-(2,6-difluorophenyl)-3-(furan-2-yl)propan-2-ol
SMILESOC(Cc1ccco1)Cc1c(F)cccc1F
InChIInChI=1S/C13H12F2O2/c14-12-4-1-5-13(15)11(12)8-9(16)7-10-3-2-6-17-10/h1-6,9,16H,7-8H2
InChIKeyDVWRQRAYOCADJB-UHFFFAOYSA-N
XLogP2.70
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(furan-2-yl)ethane-1,1-diol
CID 156698008
1-(3-fluorophenyl)sulfanyl-3-(furan-2-yl)propan-2-ol
CID 83175265
1-(2-chloro-6-fluorophenyl)-3-(furan-2-yl)-N-methylpropan-2-amine
CID 83176029
1-(furan-2-yl)hexan-2-ol
CID 83171633
1-(4-bromophenyl)-3-(2,6-difluorophenyl)propan-2-ol
CID 114931469
1-(2-fluoro-3-methylphenyl)-2-(furan-2-yl)ethanol
CID 115830188
1-(2-bromophenyl)-3-(2,6-difluorophenyl)propan-2-ol
CID 114931497
1-(2,3-difluorophenyl)-3-(furan-2-yl)propan-1-ol
CID 105099638
1-(2-fluorophenyl)sulfanyl-3-(furan-2-yl)propan-2-amine
CID 83175961
[1-(2,3-difluorophenyl)-2-(furan-2-yl)ethyl]hydrazine
CID 105331593
2,3-difluoro-N-[1-(furan-2-yl)propan-2-yl]aniline
CID 63085318
1-butan-2-ylsulfanyl-3-(2,6-difluorophenyl)propan-2-ol
CID 114931519

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-(furan-2-yl)propan-2-ol?
The IUPAC name of 1-(2,6-difluorophenyl)-3-(furan-2-yl)propan-2-ol (CID 115830159) is 1-(2,6-difluorophenyl)-3-(furan-2-yl)propan-2-ol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-(furan-2-yl)propan-2-ol?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-(furan-2-yl)propan-2-ol is OC(Cc1ccco1)Cc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-(furan-2-yl)propan-2-ol?
The InChIKey is DVWRQRAYOCADJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2O2/c14-12-4-1-5-13(15)11(12)8-9(16)7-10-3-2-6-17-10/h1-6,9,16H,7-8H2.
What are the key properties of 1-(2,6-difluorophenyl)-3-(furan-2-yl)propan-2-ol?
1-(2,6-difluorophenyl)-3-(furan-2-yl)propan-2-ol has a molecular weight of 238.23 g/mol, XLogP of 2.70, 4 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-(furan-2-yl)propan-2-ol is sourced from PubChem (CID 115830159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).