3-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-1,1,1-trifluoropropan-2-ol

C10H9Cl2F3O3 — CID 63900680

IUPAC3-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-1,1,1-trifluoropropan-2-ol
SMILESOCc1cc(Cl)cc(Cl)c1OCC(O)C(F)(F)F
InChIInChI=1S/C10H9Cl2F3O3/c11-6-1-5(3-16)9(7(12)2-6)18-4-8(17)10(13,14)15/h1-2,8,16-17H,3-4H2
InChIKeyUWVUJEROSLXDAH-UHFFFAOYSA-N
MW305.08 g/mol
LogP2.79
Rot. Bonds4

About 3-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-1,1,1-trifluoropropan-2-ol

3-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-1,1,1-trifluoropropan-2-ol (PubChem CID 63900680) has the molecular formula C10H9Cl2F3O3 and a molecular weight of 305.08 g/mol. Its IUPAC name is 3-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-1,1,1-trifluoropropan-2-ol
PubChem CID63900680
Molecular FormulaC10H9Cl2F3O3
Molecular Weight305.08 g/mol
Exact Mass303.99
IUPAC Name3-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-1,1,1-trifluoropropan-2-ol
SMILESOCc1cc(Cl)cc(Cl)c1OCC(O)C(F)(F)F
InChIInChI=1S/C10H9Cl2F3O3/c11-6-1-5(3-16)9(7(12)2-6)18-4-8(17)10(13,14)15/h1-2,8,16-17H,3-4H2
InChIKeyUWVUJEROSLXDAH-UHFFFAOYSA-N
XLogP2.79
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.08
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-1,1,1-trifluoropropan-2-ol with MolForge

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Related Compounds

3-[2-(aminomethyl)-4,6-dichlorophenoxy]-1,1,1-trifluoropropan-2-ol
CID 63902059
3-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]-1,1,1-trifluoropropan-2-ol
CID 104665899
3-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]-1,1,1-trifluoropropan-2-ol
CID 63902462
1-[2,4-dichloro-6-(hydroxymethyl)phenoxy]propan-2-ol
CID 60884982
[3,5-dichloro-2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]methanol
CID 61490364
[3,5-dichloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]methanol
CID 103046936
[3,5-dichloro-2-(3-methylbutoxy)phenyl]methanol
CID 43516162
[3,5-dichloro-2-(2-chloroprop-2-enoxy)phenyl]methanol
CID 43516247
3-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-1,1,1-trifluoropropan-2-ol
CID 79887799
1,1,1-trifluoro-3-[2-(hydroxymethyl)-6-methylphenoxy]propan-2-ol
CID 112612406
(3,5-dichloro-2-propan-2-yloxyphenyl)methanol
CID 43516223
3-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]propane-1,2-diol
CID 82849323

Frequently Asked Questions

What is the IUPAC name of 3-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-1,1,1-trifluoropropan-2-ol (CID 63900680) is 3-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-1,1,1-trifluoropropan-2-ol is OCc1cc(Cl)cc(Cl)c1OCC(O)C(F)(F)F.
What is the InChIKey of 3-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-1,1,1-trifluoropropan-2-ol?
The InChIKey is UWVUJEROSLXDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2F3O3/c11-6-1-5(3-16)9(7(12)2-6)18-4-8(17)10(13,14)15/h1-2,8,16-17H,3-4H2.
What are the key properties of 3-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-1,1,1-trifluoropropan-2-ol?
3-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-1,1,1-trifluoropropan-2-ol has a molecular weight of 305.08 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63900680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).