2-[2-(4,4,4-trifluoro-2-hydroxybutoxy)phenyl]acetamide

C12H14F3NO3 — CID 167900172

IUPAC2-[2-(4,4,4-trifluoro-2-hydroxybutoxy)phenyl]acetamide
SMILESNC(=O)Cc1ccccc1OCC(O)CC(F)(F)F
InChIInChI=1S/C12H14F3NO3/c13-12(14,15)6-9(17)7-19-10-4-2-1-3-8(10)5-11(16)18/h1-4,9,17H,5-7H2,(H2,16,18)
InChIKeyNZFDQVDWXUDTPV-UHFFFAOYSA-N
MW277.24 g/mol
LogP1.41
Rot. Bonds6

About 2-[2-(4,4,4-trifluoro-2-hydroxybutoxy)phenyl]acetamide

2-[2-(4,4,4-trifluoro-2-hydroxybutoxy)phenyl]acetamide (PubChem CID 167900172) has the molecular formula C12H14F3NO3 and a molecular weight of 277.24 g/mol. Its IUPAC name is 2-[2-(4,4,4-trifluoro-2-hydroxybutoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(4,4,4-trifluoro-2-hydroxybutoxy)phenyl]acetamide
PubChem CID167900172
Molecular FormulaC12H14F3NO3
Molecular Weight277.24 g/mol
Exact Mass277.09
IUPAC Name2-[2-(4,4,4-trifluoro-2-hydroxybutoxy)phenyl]acetamide
SMILESNC(=O)Cc1ccccc1OCC(O)CC(F)(F)F
InChIInChI=1S/C12H14F3NO3/c13-12(14,15)6-9(17)7-19-10-4-2-1-3-8(10)5-11(16)18/h1-4,9,17H,5-7H2,(H2,16,18)
InChIKeyNZFDQVDWXUDTPV-UHFFFAOYSA-N
XLogP1.41
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
CID 21397664
2-[2-[3-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 91556632
(2R)-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-2-ol;4,4,4-trifluoro-1-(2-methoxyphenyl)butan-2-ol
CID 158657667
1,3-bis[2-(chloromethyl)phenoxy]propan-2-ol
CID 11336770
[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl] carbamate
CID 76969657
2-(3,3,3-trifluoro-2-hydroxypropoxy)benzamide
CID 69220886
1-[2-(aminomethyl)phenoxy]-3-(2-fluorophenoxy)propan-2-ol
CID 43531496
[2-[2-hydroxy-3-[N-methyl-4-(trifluoromethyl)anilino]propoxy]phenyl]methyl acetate
CID 118595348
(2R)-1-amino-3-[2-(trifluoromethyl)phenoxy]propan-2-ol
CID 30121905
3-(2-ethylphenoxy)-2-methylpropanamide
CID 64765862
carbamic acid;1-prop-2-ynoxy-3-[2-(trifluoromethyl)phenoxy]propan-2-ol
CID 71436755
2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]acetamide
CID 10424650

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,4,4-trifluoro-2-hydroxybutoxy)phenyl]acetamide?
The IUPAC name of 2-[2-(4,4,4-trifluoro-2-hydroxybutoxy)phenyl]acetamide (CID 167900172) is 2-[2-(4,4,4-trifluoro-2-hydroxybutoxy)phenyl]acetamide.
What is the SMILES notation for 2-[2-(4,4,4-trifluoro-2-hydroxybutoxy)phenyl]acetamide?
The canonical SMILES for 2-[2-(4,4,4-trifluoro-2-hydroxybutoxy)phenyl]acetamide is NC(=O)Cc1ccccc1OCC(O)CC(F)(F)F.
What is the InChIKey of 2-[2-(4,4,4-trifluoro-2-hydroxybutoxy)phenyl]acetamide?
The InChIKey is NZFDQVDWXUDTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3/c13-12(14,15)6-9(17)7-19-10-4-2-1-3-8(10)5-11(16)18/h1-4,9,17H,5-7H2,(H2,16,18).
What are the key properties of 2-[2-(4,4,4-trifluoro-2-hydroxybutoxy)phenyl]acetamide?
2-[2-(4,4,4-trifluoro-2-hydroxybutoxy)phenyl]acetamide has a molecular weight of 277.24 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,4,4-trifluoro-2-hydroxybutoxy)phenyl]acetamide is sourced from PubChem (CID 167900172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).