1-(4-fluoro-3-methylphenoxy)-3-(2,2,2-trifluoroethoxy)propan-2-ol

C12H14F4O3 — CID 167965168

IUPAC1-(4-fluoro-3-methylphenoxy)-3-(2,2,2-trifluoroethoxy)propan-2-ol
SMILESCc1cc(OCC(O)COCC(F)(F)F)ccc1F
InChIInChI=1S/C12H14F4O3/c1-8-4-10(2-3-11(8)13)19-6-9(17)5-18-7-12(14,15)16/h2-4,9,17H,5-7H2,1H3
InChIKeyARVAMHULNQZACR-UHFFFAOYSA-N
MW282.23 g/mol
LogP2.45
Rot. Bonds6

About 1-(4-fluoro-3-methylphenoxy)-3-(2,2,2-trifluoroethoxy)propan-2-ol

1-(4-fluoro-3-methylphenoxy)-3-(2,2,2-trifluoroethoxy)propan-2-ol (PubChem CID 167965168) has the molecular formula C12H14F4O3 and a molecular weight of 282.23 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenoxy)-3-(2,2,2-trifluoroethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenoxy)-3-(2,2,2-trifluoroethoxy)propan-2-ol
PubChem CID167965168
Molecular FormulaC12H14F4O3
Molecular Weight282.23 g/mol
Exact Mass282.09
IUPAC Name1-(4-fluoro-3-methylphenoxy)-3-(2,2,2-trifluoroethoxy)propan-2-ol
SMILESCc1cc(OCC(O)COCC(F)(F)F)ccc1F
InChIInChI=1S/C12H14F4O3/c1-8-4-10(2-3-11(8)13)19-6-9(17)5-18-7-12(14,15)16/h2-4,9,17H,5-7H2,1H3
InChIKeyARVAMHULNQZACR-UHFFFAOYSA-N
XLogP2.45
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.23
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[3-(4-fluoro-3-methylphenoxy)-2-hydroxypropoxy]phenyl]acetonitrile
CID 109415991
3-[2-hydroxy-3-(2,2,2-trifluoroethoxy)propoxy]-4-methylbenzonitrile
CID 167920569
3-[4-methyl-3-(trifluoromethyl)phenoxy]propane-1,2-diol
CID 70644511
5-chloro-2-[2-hydroxy-3-(2,2,2-trifluoroethoxy)propoxy]-3-methylbenzonitrile
CID 167871031
1-(4-chloro-3-fluorophenoxy)-3-ethoxypropan-2-ol
CID 167967220
1-[2-fluoro-4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol
CID 107719630
1-(2-chlorophenoxy)-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 167743089
1-(3,4-dichlorophenoxy)-3-(2,2,2-trifluoroethoxyamino)propan-2-ol
CID 82721381
3-[2-methyl-4-(2,2,2-trifluoroethoxy)anilino]propane-1,2-diol
CID 168595342
1,3-bis(4-fluorophenoxy)propan-2-ol
CID 109412822
2-(4-fluoro-3-methylphenoxy)acetyl chloride
CID 59775204
1-(4-fluoro-3-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 55096171

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenoxy)-3-(2,2,2-trifluoroethoxy)propan-2-ol?
The IUPAC name of 1-(4-fluoro-3-methylphenoxy)-3-(2,2,2-trifluoroethoxy)propan-2-ol (CID 167965168) is 1-(4-fluoro-3-methylphenoxy)-3-(2,2,2-trifluoroethoxy)propan-2-ol.
What is the SMILES notation for 1-(4-fluoro-3-methylphenoxy)-3-(2,2,2-trifluoroethoxy)propan-2-ol?
The canonical SMILES for 1-(4-fluoro-3-methylphenoxy)-3-(2,2,2-trifluoroethoxy)propan-2-ol is Cc1cc(OCC(O)COCC(F)(F)F)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenoxy)-3-(2,2,2-trifluoroethoxy)propan-2-ol?
The InChIKey is ARVAMHULNQZACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4O3/c1-8-4-10(2-3-11(8)13)19-6-9(17)5-18-7-12(14,15)16/h2-4,9,17H,5-7H2,1H3.
What are the key properties of 1-(4-fluoro-3-methylphenoxy)-3-(2,2,2-trifluoroethoxy)propan-2-ol?
1-(4-fluoro-3-methylphenoxy)-3-(2,2,2-trifluoroethoxy)propan-2-ol has a molecular weight of 282.23 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenoxy)-3-(2,2,2-trifluoroethoxy)propan-2-ol is sourced from PubChem (CID 167965168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).