4,4,5,5-tetrafluoro-3-hydroxy-3-methyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pentanamide

C15H16F7NO3 — CID 139414552

IUPAC4,4,5,5-tetrafluoro-3-hydroxy-3-methyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pentanamide
SMILESCC(NC(=O)CC(C)(O)C(F)(F)C(F)F)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H16F7NO3/c1-8(9-4-3-5-10(6-9)26-15(20,21)22)23-11(24)7-13(2,25)14(18,19)12(16)17/h3-6,8,12,25H,7H2,1-2H3,(H,23,24)
InChIKeyUCQCOAQSODWNFL-UHFFFAOYSA-N
MW391.28 g/mol
LogP3.80
Rot. Bonds7

About 4,4,5,5-tetrafluoro-3-hydroxy-3-methyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pentanamide

4,4,5,5-tetrafluoro-3-hydroxy-3-methyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pentanamide (PubChem CID 139414552) has the molecular formula C15H16F7NO3 and a molecular weight of 391.28 g/mol. Its IUPAC name is 4,4,5,5-tetrafluoro-3-hydroxy-3-methyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pentanamide.

Molecular Properties

Compound Name4,4,5,5-tetrafluoro-3-hydroxy-3-methyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pentanamide
PubChem CID139414552
Molecular FormulaC15H16F7NO3
Molecular Weight391.28 g/mol
Exact Mass391.10
IUPAC Name4,4,5,5-tetrafluoro-3-hydroxy-3-methyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pentanamide
SMILESCC(NC(=O)CC(C)(O)C(F)(F)C(F)F)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H16F7NO3/c1-8(9-4-3-5-10(6-9)26-15(20,21)22)23-11(24)7-13(2,25)14(18,19)12(16)17/h3-6,8,12,25H,7H2,1-2H3,(H,23,24)
InChIKeyUCQCOAQSODWNFL-UHFFFAOYSA-N
XLogP3.80
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.28
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-5,5,5-trifluoro-3-hydroxy-3-methyl-N-[(1S)-1-[3-(trifluoromethoxy)phenyl]ethyl]pentanamide
CID 139428063
(3R)-3-hydroxy-4,4-dimethyl-N-[(1S)-1-[3-(trifluoromethoxy)phenyl]ethyl]pentanamide;(3S)-3-hydroxy-4,4-dimethyl-N-[(1S)-1-[3-(trifluoromethoxy)phenyl]ethyl]pentanamide;3-hydroxy-4,4-dimethyl-N-[(1S)-1-[3-(trifluoromethoxy)phenyl]ethyl]pentanamide
CID 157286212
methyl 5-[1-[3-(trifluoromethoxy)phenyl]ethylcarbamoyl]thiophene-2-carboxylate
CID 69052819
(3R)-4,4,4-trifluoro-3-hydroxy-3-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 8865880
N-[1-(3-chlorophenyl)ethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 46490982
(3R)-3-hydroxy-4-methyl-N-[(1S)-1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-3-(trifluoromethyl)pentanamide
CID 139414577
5-[1-(3-methoxyphenyl)ethylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 61058990
N-tert-butyl-2-methyl-3-[3-(trifluoromethoxy)phenyl]butan-1-amine
CID 81012434
(2R)-2-[3-(trifluoromethoxy)phenyl]propanoic acid
CID 175718270
butan-2-amine;N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyridine-4-carboxamide
CID 171931063
3-[1-[3-(trifluoromethoxy)phenyl]ethylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 139022010
N-propan-2-yl-2-[3-(trifluoromethoxy)anilino]acetamide
CID 28586045

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetrafluoro-3-hydroxy-3-methyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pentanamide?
The IUPAC name of 4,4,5,5-tetrafluoro-3-hydroxy-3-methyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pentanamide (CID 139414552) is 4,4,5,5-tetrafluoro-3-hydroxy-3-methyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pentanamide.
What is the SMILES notation for 4,4,5,5-tetrafluoro-3-hydroxy-3-methyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pentanamide?
The canonical SMILES for 4,4,5,5-tetrafluoro-3-hydroxy-3-methyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pentanamide is CC(NC(=O)CC(C)(O)C(F)(F)C(F)F)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 4,4,5,5-tetrafluoro-3-hydroxy-3-methyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pentanamide?
The InChIKey is UCQCOAQSODWNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F7NO3/c1-8(9-4-3-5-10(6-9)26-15(20,21)22)23-11(24)7-13(2,25)14(18,19)12(16)17/h3-6,8,12,25H,7H2,1-2H3,(H,23,24).
What are the key properties of 4,4,5,5-tetrafluoro-3-hydroxy-3-methyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pentanamide?
4,4,5,5-tetrafluoro-3-hydroxy-3-methyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pentanamide has a molecular weight of 391.28 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetrafluoro-3-hydroxy-3-methyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pentanamide is sourced from PubChem (CID 139414552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).