1-(3,5-difluorophenoxy)propan-2-ol

C9H10F2O2 — CID 62784687

IUPAC1-(3,5-difluorophenoxy)propan-2-ol
SMILESCC(O)COc1cc(F)cc(F)c1
InChIInChI=1S/C9H10F2O2/c1-6(12)5-13-9-3-7(10)2-8(11)4-9/h2-4,6,12H,5H2,1H3
InChIKeyOTYQGGSHQGOSGO-UHFFFAOYSA-N
MW188.17 g/mol
LogP1.72
Rot. Bonds3

About 1-(3,5-difluorophenoxy)propan-2-ol

1-(3,5-difluorophenoxy)propan-2-ol (PubChem CID 62784687) has the molecular formula C9H10F2O2 and a molecular weight of 188.17 g/mol. Its IUPAC name is 1-(3,5-difluorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(3,5-difluorophenoxy)propan-2-ol
PubChem CID62784687
Molecular FormulaC9H10F2O2
Molecular Weight188.17 g/mol
Exact Mass188.06
IUPAC Name1-(3,5-difluorophenoxy)propan-2-ol
SMILESCC(O)COc1cc(F)cc(F)c1
InChIInChI=1S/C9H10F2O2/c1-6(12)5-13-9-3-7(10)2-8(11)4-9/h2-4,6,12H,5H2,1H3
InChIKeyOTYQGGSHQGOSGO-UHFFFAOYSA-N
XLogP1.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.17
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-3-(3,5-difluorophenoxy)propan-2-ol
CID 112560779
1-(3,5-difluorophenoxy)-3-methoxy-3-methylbutan-2-ol
CID 114228810
3-amino-4-(3,5-difluorophenoxy)-1-fluorobutan-2-ol
CID 68631534
2-(3,5-difluorophenoxy)-1-(4-methoxyphenyl)ethanol
CID 62783768
1-(2,2-diethoxyethoxy)-3,5-difluorobenzene
CID 63628941
1-(3,5-difluorophenoxy)-N-propylpropan-2-amine
CID 62784297
5-(2-hydroxypropoxy)benzene-1,3-dicarboxylic acid
CID 139699920
1-(3,5-difluorophenoxy)-N-methylbutan-2-amine
CID 62786158
(3,5-difluorophenyl) 2-hydroxypropanoate
CID 117051136
2-(3,5-difluorophenoxy)-1-(3-methoxyphenyl)ethanol
CID 62783956
1-(3,5-difluorophenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 113317787
1-(3,5-difluorophenoxy)-N-ethylbutan-2-amine
CID 62785969

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenoxy)propan-2-ol?
The IUPAC name of 1-(3,5-difluorophenoxy)propan-2-ol (CID 62784687) is 1-(3,5-difluorophenoxy)propan-2-ol.
What is the SMILES notation for 1-(3,5-difluorophenoxy)propan-2-ol?
The canonical SMILES for 1-(3,5-difluorophenoxy)propan-2-ol is CC(O)COc1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenoxy)propan-2-ol?
The InChIKey is OTYQGGSHQGOSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O2/c1-6(12)5-13-9-3-7(10)2-8(11)4-9/h2-4,6,12H,5H2,1H3.
What are the key properties of 1-(3,5-difluorophenoxy)propan-2-ol?
1-(3,5-difluorophenoxy)propan-2-ol has a molecular weight of 188.17 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenoxy)propan-2-ol is sourced from PubChem (CID 62784687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).