1-[2-chloro-4-(trifluoromethoxy)phenyl]propane-1,2,3-triol

C10H10ClF3O4 — CID 170818716

IUPAC1-[2-chloro-4-(trifluoromethoxy)phenyl]propane-1,2,3-triol
SMILESOCC(O)C(O)c1ccc(OC(F)(F)F)cc1Cl
InChIInChI=1S/C10H10ClF3O4/c11-7-3-5(18-10(12,13)14)1-2-6(7)9(17)8(16)4-15/h1-3,8-9,15-17H,4H2
InChIKeyJPROPROQZCLYEU-UHFFFAOYSA-N
MW286.63 g/mol
LogP1.63
Rot. Bonds4

About 1-[2-chloro-4-(trifluoromethoxy)phenyl]propane-1,2,3-triol

1-[2-chloro-4-(trifluoromethoxy)phenyl]propane-1,2,3-triol (PubChem CID 170818716) has the molecular formula C10H10ClF3O4 and a molecular weight of 286.63 g/mol. Its IUPAC name is 1-[2-chloro-4-(trifluoromethoxy)phenyl]propane-1,2,3-triol.

Molecular Properties

Compound Name1-[2-chloro-4-(trifluoromethoxy)phenyl]propane-1,2,3-triol
PubChem CID170818716
Molecular FormulaC10H10ClF3O4
Molecular Weight286.63 g/mol
Exact Mass286.02
IUPAC Name1-[2-chloro-4-(trifluoromethoxy)phenyl]propane-1,2,3-triol
SMILESOCC(O)C(O)c1ccc(OC(F)(F)F)cc1Cl
InChIInChI=1S/C10H10ClF3O4/c11-7-3-5(18-10(12,13)14)1-2-6(7)9(17)8(16)4-15/h1-3,8-9,15-17H,4H2
InChIKeyJPROPROQZCLYEU-UHFFFAOYSA-N
XLogP1.63
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.63
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[2-chloro-4-(trifluoromethoxy)phenyl]propane-1,2-diol
CID 170828895
methyl 4-[2-chloro-4-(trifluoromethoxy)phenyl]-3,4-dihydroxybutanoate
CID 171896468
1-(2-chloro-4-methoxyphenyl)propane-1,2,3-triol
CID 170817734
4-amino-1-[2-fluoro-4-(trifluoromethoxy)phenyl]butane-1,2-diol
CID 171882137
1-[2-amino-4-(trifluoromethoxy)phenyl]-3-chloropropane-1,2-diol
CID 171862958
4-[2-fluoro-4-(trifluoromethoxy)phenyl]-3,4-dihydroxybutanenitrile
CID 171901845
1-[2-amino-5-(trifluoromethoxy)phenyl]-4-sulfanylbutane-1,2-diol
CID 171875016
1-[2-amino-5-(trifluoromethoxy)phenyl]-4-bromobutane-1,2-diol
CID 171892933
3-amino-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propane-1,2-diol
CID 170828896
1-(4-chloro-2-fluorophenyl)propane-1,2,3-triol
CID 170817442
ethyl 4-[2-fluoro-4-(trifluoromethoxy)phenyl]-3,4-dihydroxybutanoate
CID 171898262
1-[2-amino-4-(trifluoromethoxy)phenyl]-3-(methylamino)propane-1,2-diol
CID 171858863

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(trifluoromethoxy)phenyl]propane-1,2,3-triol?
The IUPAC name of 1-[2-chloro-4-(trifluoromethoxy)phenyl]propane-1,2,3-triol (CID 170818716) is 1-[2-chloro-4-(trifluoromethoxy)phenyl]propane-1,2,3-triol.
What is the SMILES notation for 1-[2-chloro-4-(trifluoromethoxy)phenyl]propane-1,2,3-triol?
The canonical SMILES for 1-[2-chloro-4-(trifluoromethoxy)phenyl]propane-1,2,3-triol is OCC(O)C(O)c1ccc(OC(F)(F)F)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-(trifluoromethoxy)phenyl]propane-1,2,3-triol?
The InChIKey is JPROPROQZCLYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3O4/c11-7-3-5(18-10(12,13)14)1-2-6(7)9(17)8(16)4-15/h1-3,8-9,15-17H,4H2.
What are the key properties of 1-[2-chloro-4-(trifluoromethoxy)phenyl]propane-1,2,3-triol?
1-[2-chloro-4-(trifluoromethoxy)phenyl]propane-1,2,3-triol has a molecular weight of 286.63 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(trifluoromethoxy)phenyl]propane-1,2,3-triol is sourced from PubChem (CID 170818716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).