3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]propanamide

C10H18F3NO2 — CID 103725598

IUPAC3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]propanamide
SMILESCCCC(CCO)CNC(=O)CC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-2-3-8(4-5-15)7-14-9(16)6-10(11,12)13/h8,15H,2-7H2,1H3,(H,14,16)
InChIKeyCLWGDAWMIAPBLM-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.85
Rot. Bonds7

About 3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]propanamide

3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]propanamide (PubChem CID 103725598) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]propanamide
PubChem CID103725598
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]propanamide
SMILESCCCC(CCO)CNC(=O)CC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-2-3-8(4-5-15)7-14-9(16)6-10(11,12)13/h8,15H,2-7H2,1H3,(H,14,16)
InChIKeyCLWGDAWMIAPBLM-UHFFFAOYSA-N
XLogP1.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(tert-butylamino)-N-[2-(2-hydroxyethyl)pentyl]propanamide
CID 114145527
N-[2-(2-hydroxyethyl)pentyl]-2-(methylamino)acetamide;hydrochloride
CID 120704813
N-[2-(2-hydroxyethyl)pentyl]-2-methylsulfanylacetamide
CID 103722907
2-tert-butylsulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 113248427
2-amino-3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]-2-methylpropanamide
CID 106116606
3-(dimethylamino)-N-[2-(2-hydroxyethyl)pentyl]propanamide
CID 103820610
1-ethyl-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103708339
2-bromo-N-[2-(2-hydroxyethyl)pentyl]-2-methylpropanamide
CID 106114985
3-amino-N-[2-(2-hydroxyethyl)pentyl]-4-methylpentanamide
CID 106116641
N-[2-(2-hydroxyethyl)pentyl]pent-4-ynamide
CID 106115864
3-cyclopentyl-N-[2-(2-hydroxyethyl)pentyl]propanamide
CID 113248441
N-(2-ethyl-4-hydroxybutyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 113254236

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]propanamide (CID 103725598) is 3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]propanamide is CCCC(CCO)CNC(=O)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]propanamide?
The InChIKey is CLWGDAWMIAPBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-2-3-8(4-5-15)7-14-9(16)6-10(11,12)13/h8,15H,2-7H2,1H3,(H,14,16).
What are the key properties of 3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]propanamide?
3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]propanamide has a molecular weight of 241.25 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]propanamide is sourced from PubChem (CID 103725598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).