N-[(3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-N-methylacetamide

C13H16F3NO2 — CID 130473847

IUPACN-[(3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-N-methylacetamide
SMILESCC(=O)N(C)CC[C@@H](O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO2/c1-9(18)17(2)8-7-12(19)10-3-5-11(6-4-10)13(14,15)16/h3-6,12,19H,7-8H2,1-2H3/t12-/m1/s1
InChIKeyOOFVVCIMHKAQKA-GFCCVEGCSA-N
MW275.27 g/mol
LogP2.61
Rot. Bonds4

About N-[(3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-N-methylacetamide

N-[(3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-N-methylacetamide (PubChem CID 130473847) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is N-[(3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-N-methylacetamide
PubChem CID130473847
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC NameN-[(3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-N-methylacetamide
SMILESCC(=O)N(C)CC[C@@H](O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO2/c1-9(18)17(2)8-7-12(19)10-3-5-11(6-4-10)13(14,15)16/h3-6,12,19H,7-8H2,1-2H3/t12-/m1/s1
InChIKeyOOFVVCIMHKAQKA-GFCCVEGCSA-N
XLogP2.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-hydroxy-3-phenylpropyl)-N-methylacetamide
CID 59648964
(4R)-4-hydroxy-4-[4-(trifluoromethyl)phenyl]butan-2-one
CID 11593826
1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol
CID 59729414
(1R)-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 10192650
4-methoxy-1-[4-(trifluoromethyl)phenyl]butan-1-ol
CID 65091791
3-[benzyl(propan-2-yl)amino]-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 59570710
N-[2-(dimethylamino)ethyl]-N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 90534932
N-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
CID 90694637
2-[acetyl(methyl)amino]-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 63702709
tert-butyl N-[3-(4-acetylphenyl)-3-hydroxypropyl]-N-methylcarbamate
CID 139836256
ethyl (3S)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propanoate
CID 94425179
2-(methylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60903965

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-N-methylacetamide?
The IUPAC name of N-[(3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-N-methylacetamide (CID 130473847) is N-[(3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-N-methylacetamide.
What is the SMILES notation for N-[(3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-N-methylacetamide?
The canonical SMILES for N-[(3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-N-methylacetamide is CC(=O)N(C)CC[C@@H](O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-N-methylacetamide?
The InChIKey is OOFVVCIMHKAQKA-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-9(18)17(2)8-7-12(19)10-3-5-11(6-4-10)13(14,15)16/h3-6,12,19H,7-8H2,1-2H3/t12-/m1/s1.
What are the key properties of N-[(3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-N-methylacetamide?
N-[(3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-N-methylacetamide has a molecular weight of 275.27 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-N-methylacetamide is sourced from PubChem (CID 130473847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).