4,4,4-trifluoro-N-(1-hydroxy-4-methylpentan-3-yl)butanamide

C10H18F3NO2 — CID 103782403

IUPAC4,4,4-trifluoro-N-(1-hydroxy-4-methylpentan-3-yl)butanamide
SMILESCC(C)C(CCO)NC(=O)CCC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-7(2)8(4-6-15)14-9(16)3-5-10(11,12)13/h7-8,15H,3-6H2,1-2H3,(H,14,16)
InChIKeyWWCBADUXNKMMJO-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.85
Rot. Bonds6

About 4,4,4-trifluoro-N-(1-hydroxy-4-methylpentan-3-yl)butanamide

4,4,4-trifluoro-N-(1-hydroxy-4-methylpentan-3-yl)butanamide (PubChem CID 103782403) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(1-hydroxy-4-methylpentan-3-yl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(1-hydroxy-4-methylpentan-3-yl)butanamide
PubChem CID103782403
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name4,4,4-trifluoro-N-(1-hydroxy-4-methylpentan-3-yl)butanamide
SMILESCC(C)C(CCO)NC(=O)CCC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-7(2)8(4-6-15)14-9(16)3-5-10(11,12)13/h7-8,15H,3-6H2,1-2H3,(H,14,16)
InChIKeyWWCBADUXNKMMJO-UHFFFAOYSA-N
XLogP1.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

N-[2-(1-hydroxy-4-methylpentyl)]acetamide
CID 53833043
N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 25759525
2,2,2-trifluoro-N-[(2s,3s)-1-hydroxy-3-methylpentan-2-yl]-acetamide
CID 129774022
2,2-difluoro-3-hydroxy-4-methyl-N-propan-2-ylpentanamide
CID 16090039
N-(4-amino-2,2-difluoro-3-hydroxy-5-methylhexyl)acetamide
CID 14720108
2,2,2-trifluoro-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 61246688
(R)-2,2,2-trifluoro-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 86622344
2,2,2-trifluoro-N-(5-hydroxy-2-methylpentyl)acetamide
CID 87580737
2,2,2-trifluoro-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]acetamide
CID 87841020
N-[5,5,5-trifluoro-4-(hydroxymethyl)pentyl]acetamide
CID 88125185
N-(4-amino-2,2-difluoro-3-hydroxy-6-methylheptyl)-3-methylbutanamide
CID 88612783
N-(2,2-difluoro-3-hydroxypropyl)-3-methylbutanamide
CID 104858123

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(1-hydroxy-4-methylpentan-3-yl)butanamide?
The IUPAC name of 4,4,4-trifluoro-N-(1-hydroxy-4-methylpentan-3-yl)butanamide (CID 103782403) is 4,4,4-trifluoro-N-(1-hydroxy-4-methylpentan-3-yl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(1-hydroxy-4-methylpentan-3-yl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-(1-hydroxy-4-methylpentan-3-yl)butanamide is CC(C)C(CCO)NC(=O)CCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-(1-hydroxy-4-methylpentan-3-yl)butanamide?
The InChIKey is WWCBADUXNKMMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-7(2)8(4-6-15)14-9(16)3-5-10(11,12)13/h7-8,15H,3-6H2,1-2H3,(H,14,16).
What are the key properties of 4,4,4-trifluoro-N-(1-hydroxy-4-methylpentan-3-yl)butanamide?
4,4,4-trifluoro-N-(1-hydroxy-4-methylpentan-3-yl)butanamide has a molecular weight of 241.25 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(1-hydroxy-4-methylpentan-3-yl)butanamide is sourced from PubChem (CID 103782403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).