(2R)-2-amino-4,4,4-trifluoro-N-[3-(trifluoromethoxy)phenyl]butanamide

C11H10F6N2O2 — CID 135386298

IUPAC(2R)-2-amino-4,4,4-trifluoro-N-[3-(trifluoromethoxy)phenyl]butanamide
SMILESN[C@H](CC(F)(F)F)C(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C11H10F6N2O2/c12-10(13,14)5-8(18)9(20)19-6-2-1-3-7(4-6)21-11(15,16)17/h1-4,8H,5,18H2,(H,19,20)/t8-/m1/s1
InChIKeyLBCCXJYRJWWURS-MRVPVSSYSA-N
MW316.20 g/mol
LogP2.80
Rot. Bonds4

About (2R)-2-amino-4,4,4-trifluoro-N-[3-(trifluoromethoxy)phenyl]butanamide

(2R)-2-amino-4,4,4-trifluoro-N-[3-(trifluoromethoxy)phenyl]butanamide (PubChem CID 135386298) has the molecular formula C11H10F6N2O2 and a molecular weight of 316.20 g/mol. Its IUPAC name is (2R)-2-amino-4,4,4-trifluoro-N-[3-(trifluoromethoxy)phenyl]butanamide.

Molecular Properties

Compound Name(2R)-2-amino-4,4,4-trifluoro-N-[3-(trifluoromethoxy)phenyl]butanamide
PubChem CID135386298
Molecular FormulaC11H10F6N2O2
Molecular Weight316.20 g/mol
Exact Mass316.06
IUPAC Name(2R)-2-amino-4,4,4-trifluoro-N-[3-(trifluoromethoxy)phenyl]butanamide
SMILESN[C@H](CC(F)(F)F)C(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C11H10F6N2O2/c12-10(13,14)5-8(18)9(20)19-6-2-1-3-7(4-6)21-11(15,16)17/h1-4,8H,5,18H2,(H,19,20)/t8-/m1/s1
InChIKeyLBCCXJYRJWWURS-MRVPVSSYSA-N
XLogP2.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-methyl-N-[3-(trifluoromethoxy)phenyl]pentanamide
CID 24691365
2-amino-4-methoxy-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 62473347
(2R)-2-amino-4-methylsulfanyl-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 104906851
2-amino-3-(methanesulfonamido)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 135387411
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
2-amino-3-(1,3-thiazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 135387018
(2S)-2-(methylamino)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 68650128
(2R)-2-amino-3-[2-[(Z)-ethylidene(methyl)-λ4-sulfanyl]ethylamino]-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 142480012
2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 60725225
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]-4-methylpentanamide;hydrochloride
CID 119707765
2-(2,2,2-trifluoroethylamino)-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 78924197
(2S)-2-amino-4-methyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]pentanamide;hydrochloride
CID 119727329

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4,4,4-trifluoro-N-[3-(trifluoromethoxy)phenyl]butanamide?
The IUPAC name of (2R)-2-amino-4,4,4-trifluoro-N-[3-(trifluoromethoxy)phenyl]butanamide (CID 135386298) is (2R)-2-amino-4,4,4-trifluoro-N-[3-(trifluoromethoxy)phenyl]butanamide.
What is the SMILES notation for (2R)-2-amino-4,4,4-trifluoro-N-[3-(trifluoromethoxy)phenyl]butanamide?
The canonical SMILES for (2R)-2-amino-4,4,4-trifluoro-N-[3-(trifluoromethoxy)phenyl]butanamide is N[C@H](CC(F)(F)F)C(=O)Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of (2R)-2-amino-4,4,4-trifluoro-N-[3-(trifluoromethoxy)phenyl]butanamide?
The InChIKey is LBCCXJYRJWWURS-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H10F6N2O2/c12-10(13,14)5-8(18)9(20)19-6-2-1-3-7(4-6)21-11(15,16)17/h1-4,8H,5,18H2,(H,19,20)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-4,4,4-trifluoro-N-[3-(trifluoromethoxy)phenyl]butanamide?
(2R)-2-amino-4,4,4-trifluoro-N-[3-(trifluoromethoxy)phenyl]butanamide has a molecular weight of 316.20 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4,4,4-trifluoro-N-[3-(trifluoromethoxy)phenyl]butanamide is sourced from PubChem (CID 135386298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).