1,3-bis(4-fluorophenoxy)propan-2-ol

C15H14F2O3 — CID 109412822

IUPAC1,3-bis(4-fluorophenoxy)propan-2-ol
SMILESOC(COc1ccc(F)cc1)COc1ccc(F)cc1
InChIInChI=1S/C15H14F2O3/c16-11-1-5-14(6-2-11)19-9-13(18)10-20-15-7-3-12(17)4-8-15/h1-8,13,18H,9-10H2
InChIKeyLLAMMNPBRYZJEW-UHFFFAOYSA-N
MW280.27 g/mol
LogP2.78
Rot. Bonds6

About 1,3-bis(4-fluorophenoxy)propan-2-ol

1,3-bis(4-fluorophenoxy)propan-2-ol (PubChem CID 109412822) has the molecular formula C15H14F2O3 and a molecular weight of 280.27 g/mol. Its IUPAC name is 1,3-bis(4-fluorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1,3-bis(4-fluorophenoxy)propan-2-ol
PubChem CID109412822
Molecular FormulaC15H14F2O3
Molecular Weight280.27 g/mol
Exact Mass280.09
IUPAC Name1,3-bis(4-fluorophenoxy)propan-2-ol
SMILESOC(COc1ccc(F)cc1)COc1ccc(F)cc1
InChIInChI=1S/C15H14F2O3/c16-11-1-5-14(6-2-11)19-9-13(18)10-20-15-7-3-12(17)4-8-15/h1-8,13,18H,9-10H2
InChIKeyLLAMMNPBRYZJEW-UHFFFAOYSA-N
XLogP2.78
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenoxy)-3-methoxypropan-2-ol
CID 86691234
1-(4-fluorophenoxy)-4-methylpentan-2-ol
CID 117241745
4-(4-fluorophenoxy)-3-hydroxybutanoic acid
CID 22564574
(2R)-1-(4-fluoroanilino)-3-[4-[(2R)-3-(4-fluoroanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1377310
[3-(4-fluorophenoxy)-2-hydroxypropyl] prop-2-enoate
CID 139559416
(2R)-1-(4-fluorophenoxy)-3-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol
CID 97243398
1-(4-fluorophenoxy)-3-(4-imidazol-1-ylphenoxy)propan-2-ol
CID 109414595
1-(4-fluorophenoxy)-3-(1-hydroxypropan-2-ylamino)propan-2-ol
CID 60909045
(2R,3R,12R)-13-(4-fluorophenoxy)tridecane-2,3,12-triol
CID 141205651
1-(4-fluorophenoxy)-3-pyrazol-1-ylpropan-2-ol
CID 109411608
1-(2,3-difluoroanilino)-3-(4-fluorophenoxy)propan-2-ol
CID 61074852
methyl 2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]acetate
CID 60904479

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-fluorophenoxy)propan-2-ol?
The IUPAC name of 1,3-bis(4-fluorophenoxy)propan-2-ol (CID 109412822) is 1,3-bis(4-fluorophenoxy)propan-2-ol.
What is the SMILES notation for 1,3-bis(4-fluorophenoxy)propan-2-ol?
The canonical SMILES for 1,3-bis(4-fluorophenoxy)propan-2-ol is OC(COc1ccc(F)cc1)COc1ccc(F)cc1.
What is the InChIKey of 1,3-bis(4-fluorophenoxy)propan-2-ol?
The InChIKey is LLAMMNPBRYZJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2O3/c16-11-1-5-14(6-2-11)19-9-13(18)10-20-15-7-3-12(17)4-8-15/h1-8,13,18H,9-10H2.
What are the key properties of 1,3-bis(4-fluorophenoxy)propan-2-ol?
1,3-bis(4-fluorophenoxy)propan-2-ol has a molecular weight of 280.27 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-fluorophenoxy)propan-2-ol is sourced from PubChem (CID 109412822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).