1-[2,6-dichloro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol

C10H9Cl2F3O3 — CID 170818684

IUPAC1-[2,6-dichloro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol
SMILESOCC(O)C(O)c1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H9Cl2F3O3/c11-5-1-4(10(13,14)15)2-6(12)8(5)9(18)7(17)3-16/h1-2,7,9,16-18H,3H2
InChIKeyJRCAKTHISVNJBQ-UHFFFAOYSA-N
MW305.08 g/mol
LogP2.40
Rot. Bonds3

About 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol

1-[2,6-dichloro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol (PubChem CID 170818684) has the molecular formula C10H9Cl2F3O3 and a molecular weight of 305.08 g/mol. Its IUPAC name is 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol.

Molecular Properties

Compound Name1-[2,6-dichloro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol
PubChem CID170818684
Molecular FormulaC10H9Cl2F3O3
Molecular Weight305.08 g/mol
Exact Mass303.99
IUPAC Name1-[2,6-dichloro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol
SMILESOCC(O)C(O)c1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H9Cl2F3O3/c11-5-1-4(10(13,14)15)2-6(12)8(5)9(18)7(17)3-16/h1-2,7,9,16-18H,3H2
InChIKeyJRCAKTHISVNJBQ-UHFFFAOYSA-N
XLogP2.40
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.08
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide
CID 170830904
1-[3-chloro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol
CID 170818368
1,3-dichloro-2-(difluoromethyl)-5-(trifluoromethyl)benzene
CID 171009487
1-[2-amino-4-(trifluoromethyl)phenyl]propane-1,2,3-triol
CID 170818491
[3-chloro-2,5-bis(trifluoromethyl)phenyl]methanol
CID 119020777
1-[3-nitro-5-(trifluoromethyl)phenyl]propane-1,2,3-triol
CID 170818802
3-bromo-1-[2-chloro-4-(trifluoromethyl)phenyl]propane-1,2-diol
CID 171861128
1-(2,6-dichloro-4-fluorophenyl)butane-1,2,4-triol
CID 171872114
(1R,2S)-1-amino-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]butan-2-ol;hydrochloride
CID 171263890
1-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propane-1,2,3-triol
CID 170819193
1-chloro-3-[2,6-dichloro-4-(trifluoromethyl)anilino]propan-2-ol
CID 168640694
5-chloro-7-(trifluoromethyl)-1,4-dihydroquinoxaline;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
CID 159476494

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol?
The IUPAC name of 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol (CID 170818684) is 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol.
What is the SMILES notation for 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol?
The canonical SMILES for 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol is OCC(O)C(O)c1c(Cl)cc(C(F)(F)F)cc1Cl.
What is the InChIKey of 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol?
The InChIKey is JRCAKTHISVNJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2F3O3/c11-5-1-4(10(13,14)15)2-6(12)8(5)9(18)7(17)3-16/h1-2,7,9,16-18H,3H2.
What are the key properties of 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol?
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol has a molecular weight of 305.08 g/mol, XLogP of 2.40, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol is sourced from PubChem (CID 170818684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).