N-(2-hydroxy-2-methylbutyl)-3-(2,2,2-trifluoroethoxy)propanamide

C10H18F3NO3 — CID 65114626

IUPACN-(2-hydroxy-2-methylbutyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCCC(C)(O)CNC(=O)CCOCC(F)(F)F
InChIInChI=1S/C10H18F3NO3/c1-3-9(2,16)6-14-8(15)4-5-17-7-10(11,12)13/h16H,3-7H2,1-2H3,(H,14,15)
InChIKeyFSFIOSGHGIULHK-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.23
Rot. Bonds7

About N-(2-hydroxy-2-methylbutyl)-3-(2,2,2-trifluoroethoxy)propanamide

N-(2-hydroxy-2-methylbutyl)-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 65114626) has the molecular formula C10H18F3NO3 and a molecular weight of 257.25 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylbutyl)-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylbutyl)-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID65114626
Molecular FormulaC10H18F3NO3
Molecular Weight257.25 g/mol
Exact Mass257.12
IUPAC NameN-(2-hydroxy-2-methylbutyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCCC(C)(O)CNC(=O)CCOCC(F)(F)F
InChIInChI=1S/C10H18F3NO3/c1-3-9(2,16)6-14-8(15)4-5-17-7-10(11,12)13/h16H,3-7H2,1-2H3,(H,14,15)
InChIKeyFSFIOSGHGIULHK-UHFFFAOYSA-N
XLogP1.23
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-2-methylbutyl)-3-propan-2-yloxypropanamide
CID 72116034
(3R)-4,4,4-trifluoro-3-hydroxy-3-methyl-N-[(1S)-1-(2,2,2-trifluoroethoxy)ethyl]butanamide
CID 139414639
4,4,4-trifluoro-3-hydroxy-3-methyl-N-[(1S)-1-(2,2,2-trifluoroethoxy)ethyl]butanamide
CID 139414640
2,4,4-trifluoro-3-hydroxy-3-methyl-N-[(1S)-1-(2,2,2-trifluoroethoxy)ethyl]butanamide
CID 139433920
N-(1-hydroxybutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 43417841
N-(2-hydroxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 43418185
N-(1-hydroxypropan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 43418548
N-(3-hydroxybutyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 64459331
N-(3-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 65031880
N-(2-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 65109730
N-(2-ethyl-2-hydroxybutyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 65112688
3,3,3-trifluoro-N-(2-hydroxy-2-methylbutyl)propanamide
CID 65114895

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylbutyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(2-hydroxy-2-methylbutyl)-3-(2,2,2-trifluoroethoxy)propanamide (CID 65114626) is N-(2-hydroxy-2-methylbutyl)-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(2-hydroxy-2-methylbutyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(2-hydroxy-2-methylbutyl)-3-(2,2,2-trifluoroethoxy)propanamide is CCC(C)(O)CNC(=O)CCOCC(F)(F)F.
What is the InChIKey of N-(2-hydroxy-2-methylbutyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is FSFIOSGHGIULHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3/c1-3-9(2,16)6-14-8(15)4-5-17-7-10(11,12)13/h16H,3-7H2,1-2H3,(H,14,15).
What are the key properties of N-(2-hydroxy-2-methylbutyl)-3-(2,2,2-trifluoroethoxy)propanamide?
N-(2-hydroxy-2-methylbutyl)-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 257.25 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylbutyl)-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 65114626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).