3-[2,6-bis(trifluoromethyl)phenyl]-2,3-dihydroxypropanamide

C11H9F6NO3 — CID 171869160

IUPAC3-[2,6-bis(trifluoromethyl)phenyl]-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1c(C(F)(F)F)cccc1C(F)(F)F
InChIInChI=1S/C11H9F6NO3/c12-10(13,14)4-2-1-3-5(11(15,16)17)6(4)7(19)8(20)9(18)21/h1-3,7-8,19-20H,(H2,18,21)
InChIKeyLFQOJPMPFNCREH-UHFFFAOYSA-N
MW317.19 g/mol
LogP1.60
Rot. Bonds3

About 3-[2,6-bis(trifluoromethyl)phenyl]-2,3-dihydroxypropanamide

3-[2,6-bis(trifluoromethyl)phenyl]-2,3-dihydroxypropanamide (PubChem CID 171869160) has the molecular formula C11H9F6NO3 and a molecular weight of 317.19 g/mol. Its IUPAC name is 3-[2,6-bis(trifluoromethyl)phenyl]-2,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-[2,6-bis(trifluoromethyl)phenyl]-2,3-dihydroxypropanamide
PubChem CID171869160
Molecular FormulaC11H9F6NO3
Molecular Weight317.19 g/mol
Exact Mass317.05
IUPAC Name3-[2,6-bis(trifluoromethyl)phenyl]-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1c(C(F)(F)F)cccc1C(F)(F)F
InChIInChI=1S/C11H9F6NO3/c12-10(13,14)4-2-1-3-5(11(15,16)17)6(4)7(19)8(20)9(18)21/h1-3,7-8,19-20H,(H2,18,21)
InChIKeyLFQOJPMPFNCREH-UHFFFAOYSA-N
XLogP1.60
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[2-fluoro-6-(trifluoromethyl)phenyl]-2-hydroxyacetamide
CID 99645736
1-[2,6-bis(trifluoromethyl)phenyl]butane-1,2,4-triol
CID 171873297
2,3-dihydroxy-3-(2,3,6-trifluorophenyl)propanamide
CID 171867982
(2R)-2-[2-fluoro-6-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 57032402
methyl 2-[2,6-bis(trifluoromethyl)phenyl]-2-bromoacetate
CID 87889981
(2S)-2-amino-2-[2-fluoro-6-(trifluoromethyl)phenyl]acetic acid
CID 66512908
(2S)-2-amino-2-[2,6-bis(trifluoromethyl)phenyl]ethanol
CID 66515831
1-[2-amino-6-(trifluoromethyl)phenyl]-1-chloropropan-2-one
CID 131283045
2,3-dihydroxy-3-[4-(2,2,2-trifluoroacetyl)phenyl]propanamide
CID 171869028
[2,6-bis(trifluoromethyl)phenyl]-cyclopropylmethanol
CID 139965741
1-bromo-1-[2-methylsulfanyl-6-(trifluoromethyl)phenyl]propan-2-one
CID 134615723
2-amino-1-[2-bromo-6-(trifluoromethyl)phenyl]ethanol
CID 117456631

Frequently Asked Questions

What is the IUPAC name of 3-[2,6-bis(trifluoromethyl)phenyl]-2,3-dihydroxypropanamide?
The IUPAC name of 3-[2,6-bis(trifluoromethyl)phenyl]-2,3-dihydroxypropanamide (CID 171869160) is 3-[2,6-bis(trifluoromethyl)phenyl]-2,3-dihydroxypropanamide.
What is the SMILES notation for 3-[2,6-bis(trifluoromethyl)phenyl]-2,3-dihydroxypropanamide?
The canonical SMILES for 3-[2,6-bis(trifluoromethyl)phenyl]-2,3-dihydroxypropanamide is NC(=O)C(O)C(O)c1c(C(F)(F)F)cccc1C(F)(F)F.
What is the InChIKey of 3-[2,6-bis(trifluoromethyl)phenyl]-2,3-dihydroxypropanamide?
The InChIKey is LFQOJPMPFNCREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F6NO3/c12-10(13,14)4-2-1-3-5(11(15,16)17)6(4)7(19)8(20)9(18)21/h1-3,7-8,19-20H,(H2,18,21).
What are the key properties of 3-[2,6-bis(trifluoromethyl)phenyl]-2,3-dihydroxypropanamide?
3-[2,6-bis(trifluoromethyl)phenyl]-2,3-dihydroxypropanamide has a molecular weight of 317.19 g/mol, XLogP of 1.60, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-bis(trifluoromethyl)phenyl]-2,3-dihydroxypropanamide is sourced from PubChem (CID 171869160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).