3,3,3-trifluoro-N-[3-(hydroxymethyl)-2-methoxyphenyl]propanamide

C11H12F3NO3 — CID 71056739

IUPAC3,3,3-trifluoro-N-[3-(hydroxymethyl)-2-methoxyphenyl]propanamide
SMILESCOc1c(CO)cccc1NC(=O)CC(F)(F)F
InChIInChI=1S/C11H12F3NO3/c1-18-10-7(6-16)3-2-4-8(10)15-9(17)5-11(12,13)14/h2-4,16H,5-6H2,1H3,(H,15,17)
InChIKeyJJFIGSYZSTVDSD-UHFFFAOYSA-N
MW263.21 g/mol
LogP2.08
Rot. Bonds4

About 3,3,3-trifluoro-N-[3-(hydroxymethyl)-2-methoxyphenyl]propanamide

3,3,3-trifluoro-N-[3-(hydroxymethyl)-2-methoxyphenyl]propanamide (PubChem CID 71056739) has the molecular formula C11H12F3NO3 and a molecular weight of 263.21 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[3-(hydroxymethyl)-2-methoxyphenyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[3-(hydroxymethyl)-2-methoxyphenyl]propanamide
PubChem CID71056739
Molecular FormulaC11H12F3NO3
Molecular Weight263.21 g/mol
Exact Mass263.08
IUPAC Name3,3,3-trifluoro-N-[3-(hydroxymethyl)-2-methoxyphenyl]propanamide
SMILESCOc1c(CO)cccc1NC(=O)CC(F)(F)F
InChIInChI=1S/C11H12F3NO3/c1-18-10-7(6-16)3-2-4-8(10)15-9(17)5-11(12,13)14/h2-4,16H,5-6H2,1H3,(H,15,17)
InChIKeyJJFIGSYZSTVDSD-UHFFFAOYSA-N
XLogP2.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-bromo-2-methoxyphenyl)ethyl]-3,3,3-trifluoropropanamide
CID 75391898
N-[2-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide
CID 60653327
3,3,3-trifluoro-N-[(3-methoxyphenyl)methyl]propanamide
CID 51076753
N-(3-chloro-2-methoxyphenyl)-3-hydroxy-3-phenylbutanamide
CID 110025035
2-[2-methoxy-3-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]acetic acid
CID 90737113
N-(2,3-dimethoxyphenyl)-3-oxobutanamide
CID 53434807
2-[3-(hydroxymethyl)-2-methoxyphenyl]-2-oxoacetic acid
CID 117299870
4,4,4-trifluoro-N-(2-methoxyphenyl)butanamide
CID 155941258
2-[2-(hydroxymethyl)anilino]-N-naphthalen-1-ylacetamide
CID 176907917
N-(2-carbamothioylphenyl)-3,3,3-trifluoropropanamide
CID 24705607
(3-chloro-2-methoxyphenyl)methanol
CID 54184130
tert-butyl N-[3-[2-(dimethylamino)-2-oxoethyl]-2-methoxyphenyl]carbamate
CID 167266134

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[3-(hydroxymethyl)-2-methoxyphenyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[3-(hydroxymethyl)-2-methoxyphenyl]propanamide (CID 71056739) is 3,3,3-trifluoro-N-[3-(hydroxymethyl)-2-methoxyphenyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[3-(hydroxymethyl)-2-methoxyphenyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[3-(hydroxymethyl)-2-methoxyphenyl]propanamide is COc1c(CO)cccc1NC(=O)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-[3-(hydroxymethyl)-2-methoxyphenyl]propanamide?
The InChIKey is JJFIGSYZSTVDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3/c1-18-10-7(6-16)3-2-4-8(10)15-9(17)5-11(12,13)14/h2-4,16H,5-6H2,1H3,(H,15,17).
What are the key properties of 3,3,3-trifluoro-N-[3-(hydroxymethyl)-2-methoxyphenyl]propanamide?
3,3,3-trifluoro-N-[3-(hydroxymethyl)-2-methoxyphenyl]propanamide has a molecular weight of 263.21 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[3-(hydroxymethyl)-2-methoxyphenyl]propanamide is sourced from PubChem (CID 71056739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).