4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-pentan-3-ylbutanamide

C14H20F3NO3 — CID 110883212

IUPAC4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-pentan-3-ylbutanamide
SMILESCCC(CC)NC(=O)CC(O)(c1ccc(C)o1)C(F)(F)F
InChIInChI=1S/C14H20F3NO3/c1-4-10(5-2)18-12(19)8-13(20,14(15,16)17)11-7-6-9(3)21-11/h6-7,10,20H,4-5,8H2,1-3H3,(H,18,19)
InChIKeyXQOSXFDKSQJSAK-UHFFFAOYSA-N
MW307.31 g/mol
LogP3.03
Rot. Bonds6

About 4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-pentan-3-ylbutanamide

4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-pentan-3-ylbutanamide (PubChem CID 110883212) has the molecular formula C14H20F3NO3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-pentan-3-ylbutanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-pentan-3-ylbutanamide
PubChem CID110883212
Molecular FormulaC14H20F3NO3
Molecular Weight307.31 g/mol
Exact Mass307.14
IUPAC Name4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-pentan-3-ylbutanamide
SMILESCCC(CC)NC(=O)CC(O)(c1ccc(C)o1)C(F)(F)F
InChIInChI=1S/C14H20F3NO3/c1-4-10(5-2)18-12(19)8-13(20,14(15,16)17)11-7-6-9(3)21-11/h6-7,10,20H,4-5,8H2,1-3H3,(H,18,19)
InChIKeyXQOSXFDKSQJSAK-UHFFFAOYSA-N
XLogP3.03
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Amino-1,1,1-trifluoro-2-(5-methylfuran-2-yl)butan-2-ol
CID 16227736
6-(5-Methylfuran-2-yl)-6-(trifluoromethyl)-1,3-oxazinan-2-one
CID 45835377
2-(5-Methylfuran-2-yl)-1-[[3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
CID 121515926
4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-(2-sulfanylethyl)butanamide
CID 177680307
N,N-diethyl-2,2-difluoro-3-(furan-2-yl)-3-hydroxypropanamide
CID 21993109
(3S)-N,N-diethyl-2,2-difluoro-3-(furan-2-yl)-3-hydroxypropanamide
CID 70229752
(E)-N-(3-(5-(2-cyclohexylvinyl)furan-2-yl)-3-hydroxypropyl)-2,2,2-trifluoroacetamide
CID 86694602
N-[3-[5-(2-cyclohexylethenyl)furan-2-yl]-3-hydroxypropyl]-2,2,2-trifluoroacetamide
CID 173514562
(2S,3S)-N,N-diethyl-2-fluoro-3-(furan-2-yl)-3-hydroxy-2-methylpropanamide
CID 10955771
N-[1-(1-adamantyl)ethyl]-4,4,4-trifluoro-3-(furan-2-yl)-3-hydroxybutanamide
CID 17442262
N-(2-benzylsulfanylethyl)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butanamide
CID 17477156
4,4,4-trifluoro-3-(furan-2-yl)-3-hydroxy-N-(3-phenoxypropyl)butanamide
CID 17477160

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-pentan-3-ylbutanamide?
The IUPAC name of 4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-pentan-3-ylbutanamide (CID 110883212) is 4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-pentan-3-ylbutanamide.
What is the SMILES notation for 4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-pentan-3-ylbutanamide?
The canonical SMILES for 4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-pentan-3-ylbutanamide is CCC(CC)NC(=O)CC(O)(c1ccc(C)o1)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-pentan-3-ylbutanamide?
The InChIKey is XQOSXFDKSQJSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO3/c1-4-10(5-2)18-12(19)8-13(20,14(15,16)17)11-7-6-9(3)21-11/h6-7,10,20H,4-5,8H2,1-3H3,(H,18,19).
What are the key properties of 4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-pentan-3-ylbutanamide?
4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-pentan-3-ylbutanamide has a molecular weight of 307.31 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-pentan-3-ylbutanamide is sourced from PubChem (CID 110883212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).