3-(2,6-difluorophenoxy)butan-2-ol

C10H12F2O2 — CID 81269905

IUPAC3-(2,6-difluorophenoxy)butan-2-ol
SMILESCC(O)C(C)Oc1c(F)cccc1F
InChIInChI=1S/C10H12F2O2/c1-6(13)7(2)14-10-8(11)4-3-5-9(10)12/h3-7,13H,1-2H3
InChIKeyGTHWITXDYMHGBL-UHFFFAOYSA-N
MW202.20 g/mol
LogP2.11
Rot. Bonds3

About 3-(2,6-difluorophenoxy)butan-2-ol

3-(2,6-difluorophenoxy)butan-2-ol (PubChem CID 81269905) has the molecular formula C10H12F2O2 and a molecular weight of 202.20 g/mol. Its IUPAC name is 3-(2,6-difluorophenoxy)butan-2-ol.

Molecular Properties

Compound Name3-(2,6-difluorophenoxy)butan-2-ol
PubChem CID81269905
Molecular FormulaC10H12F2O2
Molecular Weight202.20 g/mol
Exact Mass202.08
IUPAC Name3-(2,6-difluorophenoxy)butan-2-ol
SMILESCC(O)C(C)Oc1c(F)cccc1F
InChIInChI=1S/C10H12F2O2/c1-6(13)7(2)14-10-8(11)4-3-5-9(10)12/h3-7,13H,1-2H3
InChIKeyGTHWITXDYMHGBL-UHFFFAOYSA-N
XLogP2.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(hydroxymethyl)-6-methylphenoxy]butan-2-ol
CID 112612422
4-(2,6-difluorophenoxy)butan-2-ol
CID 81269023
1-(2,6-difluorophenoxy)-3-methylbutan-2-one
CID 81268709
1-(2,6-difluorophenyl)ethanol
CID 5012075
3-(3-hydroxybutan-2-yloxy)phenol
CID 77394204
methyl 2-(2-amino-6-fluorophenoxy)propanoate
CID 104831172
3-(5-bromo-2-fluorophenoxy)butan-2-ol
CID 115919572
6-(2,6-difluorophenoxy)hexan-2-ol
CID 81269753
3-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzoic acid
CID 66276514
3-fluoro-2-(1-phenylethoxy)benzoic acid
CID 55101618
2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-one
CID 82399071
(1R,2R)-2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-ol
CID 96760175

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenoxy)butan-2-ol?
The IUPAC name of 3-(2,6-difluorophenoxy)butan-2-ol (CID 81269905) is 3-(2,6-difluorophenoxy)butan-2-ol.
What is the SMILES notation for 3-(2,6-difluorophenoxy)butan-2-ol?
The canonical SMILES for 3-(2,6-difluorophenoxy)butan-2-ol is CC(O)C(C)Oc1c(F)cccc1F.
What is the InChIKey of 3-(2,6-difluorophenoxy)butan-2-ol?
The InChIKey is GTHWITXDYMHGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O2/c1-6(13)7(2)14-10-8(11)4-3-5-9(10)12/h3-7,13H,1-2H3.
What are the key properties of 3-(2,6-difluorophenoxy)butan-2-ol?
3-(2,6-difluorophenoxy)butan-2-ol has a molecular weight of 202.20 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenoxy)butan-2-ol is sourced from PubChem (CID 81269905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).