N-(4-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethoxy)propanamide

C11H20F3NO3 — CID 111447911

IUPACN-(4-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(O)CC(C)CNC(=O)C(C)OCC(F)(F)F
InChIInChI=1S/C11H20F3NO3/c1-7(4-8(2)16)5-15-10(17)9(3)18-6-11(12,13)14/h7-9,16H,4-6H2,1-3H3,(H,15,17)
InChIKeyGGCHFXJGWCSUPO-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.48
Rot. Bonds7

About N-(4-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethoxy)propanamide

N-(4-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 111447911) has the molecular formula C11H20F3NO3 and a molecular weight of 271.28 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID111447911
Molecular FormulaC11H20F3NO3
Molecular Weight271.28 g/mol
Exact Mass271.14
IUPAC NameN-(4-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(O)CC(C)CNC(=O)C(C)OCC(F)(F)F
InChIInChI=1S/C11H20F3NO3/c1-7(4-8(2)16)5-15-10(17)9(3)18-6-11(12,13)14/h7-9,16H,4-6H2,1-3H3,(H,15,17)
InChIKeyGGCHFXJGWCSUPO-UHFFFAOYSA-N
XLogP1.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 45887868
(2S)-N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 51943829
(2R)-N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 51943830
2-[3-(methylaminomethyl)cyclobutyl]oxy-N-(2,2,2-trifluoroethyl)acetamide
CID 65990889
4-hydroxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentanamide
CID 79192922
N-(5-methylhexan-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 86985445
N-(4-methylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86990487
N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 102737587
N-[(3-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209117
N-(2-hydroxy-2,4-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209126
N-(1-hydroxy-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209141
3-(2,2-difluoroethoxy)-N-(3-ethyl-2-hydroxypentyl)propanamide
CID 103525105

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(4-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethoxy)propanamide (CID 111447911) is N-(4-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(4-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(4-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethoxy)propanamide is CC(O)CC(C)CNC(=O)C(C)OCC(F)(F)F.
What is the InChIKey of N-(4-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is GGCHFXJGWCSUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO3/c1-7(4-8(2)16)5-15-10(17)9(3)18-6-11(12,13)14/h7-9,16H,4-6H2,1-3H3,(H,15,17).
What are the key properties of N-(4-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethoxy)propanamide?
N-(4-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 271.28 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 111447911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).