N-ethyl-5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentanamide

C9H13F6NO2 — CID 89370330

IUPACN-ethyl-5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentanamide
SMILESCCNC(=O)C(C)CC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H13F6NO2/c1-3-16-6(17)5(2)4-7(18,8(10,11)12)9(13,14)15/h5,18H,3-4H2,1-2H3,(H,16,17)
InChIKeyCWUBTOSFPVGGKF-UHFFFAOYSA-N
MW281.20 g/mol
LogP2.00
Rot. Bonds4

About N-ethyl-5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentanamide

N-ethyl-5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentanamide (PubChem CID 89370330) has the molecular formula C9H13F6NO2 and a molecular weight of 281.20 g/mol. Its IUPAC name is N-ethyl-5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentanamide.

Molecular Properties

Compound NameN-ethyl-5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentanamide
PubChem CID89370330
Molecular FormulaC9H13F6NO2
Molecular Weight281.20 g/mol
Exact Mass281.09
IUPAC NameN-ethyl-5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentanamide
SMILESCCNC(=O)C(C)CC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H13F6NO2/c1-3-16-6(17)5(2)4-7(18,8(10,11)12)9(13,14)15/h5,18H,3-4H2,1-2H3,(H,16,17)
InChIKeyCWUBTOSFPVGGKF-UHFFFAOYSA-N
XLogP2.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentanamide?
The IUPAC name of N-ethyl-5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentanamide (CID 89370330) is N-ethyl-5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentanamide.
What is the SMILES notation for N-ethyl-5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentanamide?
The canonical SMILES for N-ethyl-5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentanamide is CCNC(=O)C(C)CC(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-ethyl-5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentanamide?
The InChIKey is CWUBTOSFPVGGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F6NO2/c1-3-16-6(17)5(2)4-7(18,8(10,11)12)9(13,14)15/h5,18H,3-4H2,1-2H3,(H,16,17).
What are the key properties of N-ethyl-5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentanamide?
N-ethyl-5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentanamide has a molecular weight of 281.20 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentanamide is sourced from PubChem (CID 89370330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).