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

C15H17F6NO3 — CID 139428063

IUPAC(3S)-5,5,5-trifluoro-3-hydroxy-3-methyl-N-[(1S)-1-[3-(trifluoromethoxy)phenyl]ethyl]pentanamide
SMILESC[C@H](NC(=O)C[C@](C)(O)CC(F)(F)F)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H17F6NO3/c1-9(10-4-3-5-11(6-10)25-15(19,20)21)22-12(23)7-13(2,24)8-14(16,17)18/h3-6,9,24H,7-8H2,1-2H3,(H,22,23)/t9-,13-/m0/s1
InChIKeyMZFKOKNHODEJBS-ZANVPECISA-N
MW373.29 g/mol
LogP3.86
Rot. Bonds6

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

(3S)-5,5,5-trifluoro-3-hydroxy-3-methyl-N-[(1S)-1-[3-(trifluoromethoxy)phenyl]ethyl]pentanamide (PubChem CID 139428063) has the molecular formula C15H17F6NO3 and a molecular weight of 373.29 g/mol. Its IUPAC name is (3S)-5,5,5-trifluoro-3-hydroxy-3-methyl-N-[(1S)-1-[3-(trifluoromethoxy)phenyl]ethyl]pentanamide.

Molecular Properties

Compound Name(3S)-5,5,5-trifluoro-3-hydroxy-3-methyl-N-[(1S)-1-[3-(trifluoromethoxy)phenyl]ethyl]pentanamide
PubChem CID139428063
Molecular FormulaC15H17F6NO3
Molecular Weight373.29 g/mol
Exact Mass373.11
IUPAC Name(3S)-5,5,5-trifluoro-3-hydroxy-3-methyl-N-[(1S)-1-[3-(trifluoromethoxy)phenyl]ethyl]pentanamide
SMILESC[C@H](NC(=O)C[C@](C)(O)CC(F)(F)F)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H17F6NO3/c1-9(10-4-3-5-11(6-10)25-15(19,20)21)22-12(23)7-13(2,24)8-14(16,17)18/h3-6,9,24H,7-8H2,1-2H3,(H,22,23)/t9-,13-/m0/s1
InChIKeyMZFKOKNHODEJBS-ZANVPECISA-N
XLogP3.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.29
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,4,5,5-tetrafluoro-3-hydroxy-3-methyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pentanamide
CID 139414552
(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
(3R)-3-hydroxy-4-methyl-N-[(1S)-1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-3-(trifluoromethyl)pentanamide
CID 139414577
N-[1-(3-chlorophenyl)ethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 46490982
3-[1-[3-(trifluoromethoxy)phenyl]ethylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 139022010
5-[1-(3-methoxyphenyl)ethylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 61058990
methyl 5-[1-[3-(trifluoromethoxy)phenyl]ethylcarbamoyl]thiophene-2-carboxylate
CID 69052819
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
N-propan-2-yl-2-[3-(trifluoromethoxy)anilino]acetamide
CID 28586045
(2R)-2-hydroxy-2-[3-(trifluoromethoxy)phenyl]acetic acid
CID 96874577

Frequently Asked Questions

What is the IUPAC name of (3S)-5,5,5-trifluoro-3-hydroxy-3-methyl-N-[(1S)-1-[3-(trifluoromethoxy)phenyl]ethyl]pentanamide?
The IUPAC name of (3S)-5,5,5-trifluoro-3-hydroxy-3-methyl-N-[(1S)-1-[3-(trifluoromethoxy)phenyl]ethyl]pentanamide (CID 139428063) is (3S)-5,5,5-trifluoro-3-hydroxy-3-methyl-N-[(1S)-1-[3-(trifluoromethoxy)phenyl]ethyl]pentanamide.
What is the SMILES notation for (3S)-5,5,5-trifluoro-3-hydroxy-3-methyl-N-[(1S)-1-[3-(trifluoromethoxy)phenyl]ethyl]pentanamide?
The canonical SMILES for (3S)-5,5,5-trifluoro-3-hydroxy-3-methyl-N-[(1S)-1-[3-(trifluoromethoxy)phenyl]ethyl]pentanamide is C[C@H](NC(=O)C[C@](C)(O)CC(F)(F)F)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of (3S)-5,5,5-trifluoro-3-hydroxy-3-methyl-N-[(1S)-1-[3-(trifluoromethoxy)phenyl]ethyl]pentanamide?
The InChIKey is MZFKOKNHODEJBS-ZANVPECISA-N. The full InChI is InChI=1S/C15H17F6NO3/c1-9(10-4-3-5-11(6-10)25-15(19,20)21)22-12(23)7-13(2,24)8-14(16,17)18/h3-6,9,24H,7-8H2,1-2H3,(H,22,23)/t9-,13-/m0/s1.
What are the key properties of (3S)-5,5,5-trifluoro-3-hydroxy-3-methyl-N-[(1S)-1-[3-(trifluoromethoxy)phenyl]ethyl]pentanamide?
(3S)-5,5,5-trifluoro-3-hydroxy-3-methyl-N-[(1S)-1-[3-(trifluoromethoxy)phenyl]ethyl]pentanamide has a molecular weight of 373.29 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5,5,5-trifluoro-3-hydroxy-3-methyl-N-[(1S)-1-[3-(trifluoromethoxy)phenyl]ethyl]pentanamide is sourced from PubChem (CID 139428063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).