2,2,2-trifluoro-N-[4-(3-hydroxypropyl)-2-methylphenyl]acetamide

C12H14F3NO2 — CID 88881817

IUPAC2,2,2-trifluoro-N-[4-(3-hydroxypropyl)-2-methylphenyl]acetamide
SMILESCc1cc(CCCO)ccc1NC(=O)C(F)(F)F
InChIInChI=1S/C12H14F3NO2/c1-8-7-9(3-2-6-17)4-5-10(8)16-11(18)12(13,14)15/h4-5,7,17H,2-3,6H2,1H3,(H,16,18)
InChIKeyGHZHZEIARYMCCT-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.42
Rot. Bonds4

About 2,2,2-trifluoro-N-[4-(3-hydroxypropyl)-2-methylphenyl]acetamide

2,2,2-trifluoro-N-[4-(3-hydroxypropyl)-2-methylphenyl]acetamide (PubChem CID 88881817) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-(3-hydroxypropyl)-2-methylphenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-(3-hydroxypropyl)-2-methylphenyl]acetamide
PubChem CID88881817
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name2,2,2-trifluoro-N-[4-(3-hydroxypropyl)-2-methylphenyl]acetamide
SMILESCc1cc(CCCO)ccc1NC(=O)C(F)(F)F
InChIInChI=1S/C12H14F3NO2/c1-8-7-9(3-2-6-17)4-5-10(8)16-11(18)12(13,14)15/h4-5,7,17H,2-3,6H2,1H3,(H,16,18)
InChIKeyGHZHZEIARYMCCT-UHFFFAOYSA-N
XLogP2.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-[4-(2-hydroxyethyl)-2-iodophenyl]acetamide
CID 24795536
2,2,2-trifluoro-N-[2-(3-hydroxypropyl)phenyl]acetamide
CID 88546712
N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]-2,2,2-trifluoroacetamide
CID 17334917
2,2,2-trifluoro-N-[4-(hydroxymethyl)-2-iodophenyl]acetamide
CID 15953168
N-(4-butyl-2-methylphenyl)-2-methylpropanamide
CID 86731579
N-(4,5-dichloro-2-methylphenyl)-2,2,2-trifluoroacetamide
CID 145284883
N-[4-(2-chloroethyl)-2-ethoxyphenyl]-2,2,2-trifluoroacetamide
CID 82260559
2,2,2-trifluoro-N-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
CID 11163291
N-[2-chloro-4-(2-hydroxyethyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 174444785
N-[4-(1-adamantyl)-2-methylphenyl]-2,2,2-trifluoroacetamide
CID 91679525
tert-butyl N-[4-(3-hydroxypropyl)-2-methoxyphenyl]carbamate
CID 117451587
N-[4-ethyl-2-(3-hydroxybutyl)phenyl]-2,2,2-trifluoroacetamide
CID 154608807

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-(3-hydroxypropyl)-2-methylphenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-(3-hydroxypropyl)-2-methylphenyl]acetamide (CID 88881817) is 2,2,2-trifluoro-N-[4-(3-hydroxypropyl)-2-methylphenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-(3-hydroxypropyl)-2-methylphenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-(3-hydroxypropyl)-2-methylphenyl]acetamide is Cc1cc(CCCO)ccc1NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[4-(3-hydroxypropyl)-2-methylphenyl]acetamide?
The InChIKey is GHZHZEIARYMCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-8-7-9(3-2-6-17)4-5-10(8)16-11(18)12(13,14)15/h4-5,7,17H,2-3,6H2,1H3,(H,16,18).
What are the key properties of 2,2,2-trifluoro-N-[4-(3-hydroxypropyl)-2-methylphenyl]acetamide?
2,2,2-trifluoro-N-[4-(3-hydroxypropyl)-2-methylphenyl]acetamide has a molecular weight of 261.24 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-(3-hydroxypropyl)-2-methylphenyl]acetamide is sourced from PubChem (CID 88881817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).