4,4,4-trifluoro-N-[(2R)-1-methoxy-2-phenylpropan-2-yl]butanamide

C14H18F3NO2 — CID 96560008

IUPAC4,4,4-trifluoro-N-[(2R)-1-methoxy-2-phenylpropan-2-yl]butanamide
SMILESCOC[C@](C)(NC(=O)CCC(F)(F)F)c1ccccc1
InChIInChI=1S/C14H18F3NO2/c1-13(10-20-2,11-6-4-3-5-7-11)18-12(19)8-9-14(15,16)17/h3-7H,8-10H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyUBDLULYTXJRCBY-ZDUSSCGKSA-N
MW289.30 g/mol
LogP3.01
Rot. Bonds6

About 4,4,4-trifluoro-N-[(2R)-1-methoxy-2-phenylpropan-2-yl]butanamide

4,4,4-trifluoro-N-[(2R)-1-methoxy-2-phenylpropan-2-yl]butanamide (PubChem CID 96560008) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[(2R)-1-methoxy-2-phenylpropan-2-yl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[(2R)-1-methoxy-2-phenylpropan-2-yl]butanamide
PubChem CID96560008
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name4,4,4-trifluoro-N-[(2R)-1-methoxy-2-phenylpropan-2-yl]butanamide
SMILESCOC[C@](C)(NC(=O)CCC(F)(F)F)c1ccccc1
InChIInChI=1S/C14H18F3NO2/c1-13(10-20-2,11-6-4-3-5-7-11)18-12(19)8-9-14(15,16)17/h3-7H,8-10H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyUBDLULYTXJRCBY-ZDUSSCGKSA-N
XLogP3.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[(2R)-1-methoxy-2-phenylpropan-2-yl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[(2R)-1-methoxy-2-phenylpropan-2-yl]butanamide (CID 96560008) is 4,4,4-trifluoro-N-[(2R)-1-methoxy-2-phenylpropan-2-yl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[(2R)-1-methoxy-2-phenylpropan-2-yl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[(2R)-1-methoxy-2-phenylpropan-2-yl]butanamide is COC[C@](C)(NC(=O)CCC(F)(F)F)c1ccccc1.
What is the InChIKey of 4,4,4-trifluoro-N-[(2R)-1-methoxy-2-phenylpropan-2-yl]butanamide?
The InChIKey is UBDLULYTXJRCBY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-13(10-20-2,11-6-4-3-5-7-11)18-12(19)8-9-14(15,16)17/h3-7H,8-10H2,1-2H3,(H,18,19)/t13-/m0/s1.
What are the key properties of 4,4,4-trifluoro-N-[(2R)-1-methoxy-2-phenylpropan-2-yl]butanamide?
4,4,4-trifluoro-N-[(2R)-1-methoxy-2-phenylpropan-2-yl]butanamide has a molecular weight of 289.30 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[(2R)-1-methoxy-2-phenylpropan-2-yl]butanamide is sourced from PubChem (CID 96560008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).