3,3,3-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)-2-(trifluoromethyl)propanamide

C11H17F6NO2 — CID 103310204

IUPAC3,3,3-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)-2-(trifluoromethyl)propanamide
SMILESCC(C)CC(C)(O)CNC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H17F6NO2/c1-6(2)4-9(3,20)5-18-8(19)7(10(12,13)14)11(15,16)17/h6-7,20H,4-5H2,1-3H3,(H,18,19)
InChIKeyMPHHHJSHLQQMNY-UHFFFAOYSA-N
MW309.25 g/mol
LogP2.64
Rot. Bonds5

About 3,3,3-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)-2-(trifluoromethyl)propanamide

3,3,3-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)-2-(trifluoromethyl)propanamide (PubChem CID 103310204) has the molecular formula C11H17F6NO2 and a molecular weight of 309.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)-2-(trifluoromethyl)propanamide
PubChem CID103310204
Molecular FormulaC11H17F6NO2
Molecular Weight309.25 g/mol
Exact Mass309.12
IUPAC Name3,3,3-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)-2-(trifluoromethyl)propanamide
SMILESCC(C)CC(C)(O)CNC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H17F6NO2/c1-6(2)4-9(3,20)5-18-8(19)7(10(12,13)14)11(15,16)17/h6-7,20H,4-5H2,1-3H3,(H,18,19)
InChIKeyMPHHHJSHLQQMNY-UHFFFAOYSA-N
XLogP2.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,3-trifluoro-2-hydroxy-2-methyl-N-pentylpropanamide
CID 88104653
N-ethyl-5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentanamide
CID 89370330
2,2,2-trifluoro-N-[(3S)-2-hydroxy-2-methylpentan-3-yl]acetamide
CID 124171567
2-methyl-N-(6,6,6-trifluoro-5-hydroxy-4,5-dimethylhexyl)propanamide
CID 156163053
2-methyl-N-(5,5,5-trifluoro-4-hydroxy-3,3,4-trimethylpentyl)propanamide
CID 156186058
ethane;3-hydroxy-N-propyl-3-(trifluoromethyl)cyclobutane-1-carboxamide
CID 164556173
N-[2-(3,3-difluoro-1-hydroxycyclobutyl)ethyl]-2-methylpropanamide
CID 167018218
2,2-difluoro-N-[(3R)-2-hydroxy-2,4-dimethylpentan-3-yl]propanamide
CID 169194149
2,2,2-trifluoro-N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]acetamide
CID 10846908
3,3,3-trifluoro-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 64195509
N-(2-ethyl-2-hydroxybutyl)-3,3,3-trifluoropropanamide
CID 65112212
3,3,3-trifluoro-N-(2-hydroxy-2-methylbutyl)propanamide
CID 65114895

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)-2-(trifluoromethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)-2-(trifluoromethyl)propanamide (CID 103310204) is 3,3,3-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)-2-(trifluoromethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)-2-(trifluoromethyl)propanamide is CC(C)CC(C)(O)CNC(=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)-2-(trifluoromethyl)propanamide?
The InChIKey is MPHHHJSHLQQMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F6NO2/c1-6(2)4-9(3,20)5-18-8(19)7(10(12,13)14)11(15,16)17/h6-7,20H,4-5H2,1-3H3,(H,18,19).
What are the key properties of 3,3,3-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)-2-(trifluoromethyl)propanamide?
3,3,3-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)-2-(trifluoromethyl)propanamide has a molecular weight of 309.25 g/mol, XLogP of 2.64, 5 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-hydroxy-2,4-dimethylpentyl)-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103310204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).