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

C10H10ClF3O3 — CID 170818368

IUPAC1-[3-chloro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol
SMILESOCC(O)C(O)c1ccc(C(F)(F)F)c(Cl)c1
InChIInChI=1S/C10H10ClF3O3/c11-7-3-5(9(17)8(16)4-15)1-2-6(7)10(12,13)14/h1-3,8-9,15-17H,4H2
InChIKeyAMKQEXMOGSZSDZ-UHFFFAOYSA-N
MW270.63 g/mol
LogP1.75
Rot. Bonds3

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

1-[3-chloro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol (PubChem CID 170818368) has the molecular formula C10H10ClF3O3 and a molecular weight of 270.63 g/mol. Its IUPAC name is 1-[3-chloro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol.

Molecular Properties

Compound Name1-[3-chloro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol
PubChem CID170818368
Molecular FormulaC10H10ClF3O3
Molecular Weight270.63 g/mol
Exact Mass270.03
IUPAC Name1-[3-chloro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol
SMILESOCC(O)C(O)c1ccc(C(F)(F)F)c(Cl)c1
InChIInChI=1S/C10H10ClF3O3/c11-7-3-5(9(17)8(16)4-15)1-2-6(7)10(12,13)14/h1-3,8-9,15-17H,4H2
InChIKeyAMKQEXMOGSZSDZ-UHFFFAOYSA-N
XLogP1.75
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.63
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-fluoro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol
CID 170818370
1-[3-chloro-4-(trifluoromethyl)phenyl]-4-(methylamino)butane-1,2-diol
CID 171890745
(1S,2R)-1-amino-1-[3-chloro-4-(trifluoromethyl)phenyl]butan-2-ol
CID 171271375
1-[3-nitro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol
CID 170818801
(3R)-3-amino-3-[3-chloro-4-(trifluoromethyl)phenyl]-2,2-difluoropropan-1-ol
CID 171244725
(1R,2S)-1-amino-1-[3-chloro-4-(trifluoromethyl)phenyl]-3,3-dimethylbutan-2-ol;hydrochloride
CID 171265714
(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-amine
CID 131415614
2-chloro-4-(1,2,3-trihydroxypropyl)benzonitrile
CID 170817886
(1R,2S)-1-amino-1-[3-chloro-4-(trifluoromethyl)phenyl]-3-methylpentan-2-ol
CID 171265717
(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride
CID 171234863
(1S)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
CID 66512002
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol
CID 170818684

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol?
The IUPAC name of 1-[3-chloro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol (CID 170818368) is 1-[3-chloro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol.
What is the SMILES notation for 1-[3-chloro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol?
The canonical SMILES for 1-[3-chloro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol is OCC(O)C(O)c1ccc(C(F)(F)F)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol?
The InChIKey is AMKQEXMOGSZSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3O3/c11-7-3-5(9(17)8(16)4-15)1-2-6(7)10(12,13)14/h1-3,8-9,15-17H,4H2.
What are the key properties of 1-[3-chloro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol?
1-[3-chloro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol has a molecular weight of 270.63 g/mol, XLogP of 1.75, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol is sourced from PubChem (CID 170818368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).