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

C10H10F4O3 — CID 170818370

IUPAC1-[3-fluoro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol
SMILESOCC(O)C(O)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C10H10F4O3/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
InChIKeyJGUKWMLFJZJXNZ-UHFFFAOYSA-N
MW254.18 g/mol
LogP1.23
Rot. Bonds3

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

1-[3-fluoro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol (PubChem CID 170818370) has the molecular formula C10H10F4O3 and a molecular weight of 254.18 g/mol. Its IUPAC name is 1-[3-fluoro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol.

Molecular Properties

Compound Name1-[3-fluoro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol
PubChem CID170818370
Molecular FormulaC10H10F4O3
Molecular Weight254.18 g/mol
Exact Mass254.06
IUPAC Name1-[3-fluoro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol
SMILESOCC(O)C(O)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C10H10F4O3/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
InChIKeyJGUKWMLFJZJXNZ-UHFFFAOYSA-N
XLogP1.23
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.18
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-1-[3-fluoro-4-(trifluoromethyl)phenyl]propane-1,2-diol
CID 171860512
1-[3-chloro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol
CID 170818368
1-[3-nitro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol
CID 170818801
2-ethoxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-ol
CID 107288624
1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-phenylpropan-1-ol
CID 107287362
2-fluoro-4-(1,2,3-trihydroxypropyl)benzaldehyde
CID 170817775
(2-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287213
tert-butyl N-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-3,4-dihydroxybutyl]carbamate
CID 171885371
1-[3-fluoro-4-(trifluoromethyl)phenyl]pentan-1-ol
CID 107287355
(3-fluoro-4-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287290
(4R)-4-amino-4-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride
CID 171209513
2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxyethanol
CID 107288626

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol?
The IUPAC name of 1-[3-fluoro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol (CID 170818370) is 1-[3-fluoro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol.
What is the SMILES notation for 1-[3-fluoro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol?
The canonical SMILES for 1-[3-fluoro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol is OCC(O)C(O)c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol?
The InChIKey is JGUKWMLFJZJXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4O3/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-fluoro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol?
1-[3-fluoro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol has a molecular weight of 254.18 g/mol, XLogP of 1.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol is sourced from PubChem (CID 170818370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).