2,2,2-trifluoro-N-[2-(2-hydroxyethyl)pentyl]acetamide

C9H16F3NO2 — CID 103725742

IUPAC2,2,2-trifluoro-N-[2-(2-hydroxyethyl)pentyl]acetamide
SMILESCCCC(CCO)CNC(=O)C(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-2-3-7(4-5-14)6-13-8(15)9(10,11)12/h7,14H,2-6H2,1H3,(H,13,15)
InChIKeyGUBOQJHTXNIMSR-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.46
Rot. Bonds6

About 2,2,2-trifluoro-N-[2-(2-hydroxyethyl)pentyl]acetamide

2,2,2-trifluoro-N-[2-(2-hydroxyethyl)pentyl]acetamide (PubChem CID 103725742) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(2-hydroxyethyl)pentyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(2-hydroxyethyl)pentyl]acetamide
PubChem CID103725742
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name2,2,2-trifluoro-N-[2-(2-hydroxyethyl)pentyl]acetamide
SMILESCCCC(CCO)CNC(=O)C(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-2-3-7(4-5-14)6-13-8(15)9(10,11)12/h7,14H,2-6H2,1H3,(H,13,15)
InChIKeyGUBOQJHTXNIMSR-UHFFFAOYSA-N
XLogP1.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6-Hydroxyhexyl)trifluoroacetamide
CID 3627607
4,4,4-trifluoro-N-[(1R*)-1-(trans-3-hydroxycyclobutyl)propyl]butanamide
CID 91768221
2,2,2-trifluoro-N-[5-hydroxy-4-(hydroxymethyl)pentyl]acetamide
CID 57039387
2,2,2-trifluoro-N-[8-hydroxy-7-(hydroxymethyl)octyl]acetamide
CID 59646293
2,2,2-trifluoro-N-(1-hydroxyhexyl)acetamide
CID 87145885
2,2,2-trifluoro-N-(5-hydroxy-2-methylpentyl)acetamide
CID 87580737
N-[5,5,5-trifluoro-4-(hydroxymethyl)pentyl]acetamide
CID 88125185
2,2,2-trifluoro-N-[2-(2-hydroxycyclopentyl)ethyl]acetamide
CID 134293377
N-(6,6,6-trifluoro-1-hydroxyhexyl)acetamide
CID 140655088
N-(2,2-dimethylhexyl)acetamide;(2R)-2-methyl-2-(trifluoromethyl)hexan-1-ol
CID 145149400
ethane;N-(2-methylhexyl)acetamide;(2R)-2-methyl-2-(trifluoromethyl)hexan-1-ol
CID 145149403
2,2,2-trifluoro-N-[2-[4-(2-hydroxyethyl)cyclohexyl]ethyl]acetamide
CID 154630327

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(2-hydroxyethyl)pentyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(2-hydroxyethyl)pentyl]acetamide (CID 103725742) is 2,2,2-trifluoro-N-[2-(2-hydroxyethyl)pentyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(2-hydroxyethyl)pentyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(2-hydroxyethyl)pentyl]acetamide is CCCC(CCO)CNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(2-hydroxyethyl)pentyl]acetamide?
The InChIKey is GUBOQJHTXNIMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-2-3-7(4-5-14)6-13-8(15)9(10,11)12/h7,14H,2-6H2,1H3,(H,13,15).
What are the key properties of 2,2,2-trifluoro-N-[2-(2-hydroxyethyl)pentyl]acetamide?
2,2,2-trifluoro-N-[2-(2-hydroxyethyl)pentyl]acetamide has a molecular weight of 227.23 g/mol, XLogP of 1.46, 6 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-[2-(2-hydroxyethyl)pentyl]acetamide is sourced from PubChem (CID 103725742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).