(3S,4S)-5,5,5-trifluoro-3-hydroxy-N,N,2,2,4-pentamethylpentanamide

C10H18F3NO2 — CID 11579605

IUPAC(3S,4S)-5,5,5-trifluoro-3-hydroxy-N,N,2,2,4-pentamethylpentanamide
SMILESC[C@@H]([C@H](O)C(C)(C)C(=O)N(C)C)C(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-6(10(11,12)13)7(15)9(2,3)8(16)14(4)5/h6-7,15H,1-5H3/t6-,7-/m0/s1
InChIKeyODZCQRLVRPCKAU-BQBZGAKWSA-N
MW241.25 g/mol
LogP1.66
Rot. Bonds3

About (3S,4S)-5,5,5-trifluoro-3-hydroxy-N,N,2,2,4-pentamethylpentanamide

(3S,4S)-5,5,5-trifluoro-3-hydroxy-N,N,2,2,4-pentamethylpentanamide (PubChem CID 11579605) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is (3S,4S)-5,5,5-trifluoro-3-hydroxy-N,N,2,2,4-pentamethylpentanamide.

Molecular Properties

Compound Name(3S,4S)-5,5,5-trifluoro-3-hydroxy-N,N,2,2,4-pentamethylpentanamide
PubChem CID11579605
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name(3S,4S)-5,5,5-trifluoro-3-hydroxy-N,N,2,2,4-pentamethylpentanamide
SMILESC[C@@H]([C@H](O)C(C)(C)C(=O)N(C)C)C(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-6(10(11,12)13)7(15)9(2,3)8(16)14(4)5/h6-7,15H,1-5H3/t6-,7-/m0/s1
InChIKeyODZCQRLVRPCKAU-BQBZGAKWSA-N
XLogP1.66
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-5,5,5-trifluoro-3-hydroxy-N,N,2,2,4-pentamethylpentanamide?
The IUPAC name of (3S,4S)-5,5,5-trifluoro-3-hydroxy-N,N,2,2,4-pentamethylpentanamide (CID 11579605) is (3S,4S)-5,5,5-trifluoro-3-hydroxy-N,N,2,2,4-pentamethylpentanamide.
What is the SMILES notation for (3S,4S)-5,5,5-trifluoro-3-hydroxy-N,N,2,2,4-pentamethylpentanamide?
The canonical SMILES for (3S,4S)-5,5,5-trifluoro-3-hydroxy-N,N,2,2,4-pentamethylpentanamide is C[C@@H]([C@H](O)C(C)(C)C(=O)N(C)C)C(F)(F)F.
What is the InChIKey of (3S,4S)-5,5,5-trifluoro-3-hydroxy-N,N,2,2,4-pentamethylpentanamide?
The InChIKey is ODZCQRLVRPCKAU-BQBZGAKWSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-6(10(11,12)13)7(15)9(2,3)8(16)14(4)5/h6-7,15H,1-5H3/t6-,7-/m0/s1.
What are the key properties of (3S,4S)-5,5,5-trifluoro-3-hydroxy-N,N,2,2,4-pentamethylpentanamide?
(3S,4S)-5,5,5-trifluoro-3-hydroxy-N,N,2,2,4-pentamethylpentanamide has a molecular weight of 241.25 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-5,5,5-trifluoro-3-hydroxy-N,N,2,2,4-pentamethylpentanamide is sourced from PubChem (CID 11579605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).