1,1,1-trifluoro-3-phenylmethoxypropan-2-ol

C10H11F3O2 — CID 11148715

IUPAC1,1,1-trifluoro-3-phenylmethoxypropan-2-ol
SMILESOC(COCc1ccccc1)C(F)(F)F
InChIInChI=1S/C10H11F3O2/c11-10(12,13)9(14)7-15-6-8-4-2-1-3-5-8/h1-5,9,14H,6-7H2
InChIKeyZYMILHUZYNRDRY-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.13
Rot. Bonds4

About 1,1,1-trifluoro-3-phenylmethoxypropan-2-ol

1,1,1-trifluoro-3-phenylmethoxypropan-2-ol (PubChem CID 11148715) has the molecular formula C10H11F3O2 and a molecular weight of 220.19 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-phenylmethoxypropan-2-ol
PubChem CID11148715
Molecular FormulaC10H11F3O2
Molecular Weight220.19 g/mol
Exact Mass220.07
IUPAC Name1,1,1-trifluoro-3-phenylmethoxypropan-2-ol
SMILESOC(COCc1ccccc1)C(F)(F)F
InChIInChI=1S/C10H11F3O2/c11-10(12,13)9(14)7-15-6-8-4-2-1-3-5-8/h1-5,9,14H,6-7H2
InChIKeyZYMILHUZYNRDRY-UHFFFAOYSA-N
XLogP2.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-phenylmethoxypropan-2-ol (CID 11148715) is 1,1,1-trifluoro-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-phenylmethoxypropan-2-ol is OC(COCc1ccccc1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-phenylmethoxypropan-2-ol?
The InChIKey is ZYMILHUZYNRDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O2/c11-10(12,13)9(14)7-15-6-8-4-2-1-3-5-8/h1-5,9,14H,6-7H2.
What are the key properties of 1,1,1-trifluoro-3-phenylmethoxypropan-2-ol?
1,1,1-trifluoro-3-phenylmethoxypropan-2-ol has a molecular weight of 220.19 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 11148715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).