(3R)-3-[3,5-bis(trifluoromethyl)phenyl]butanamide

C12H11F6NO — CID 87395828

IUPAC(3R)-3-[3,5-bis(trifluoromethyl)phenyl]butanamide
SMILESC[C@H](CC(N)=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H11F6NO/c1-6(2-10(19)20)7-3-8(11(13,14)15)5-9(4-7)12(16,17)18/h3-6H,2H2,1H3,(H2,19,20)/t6-/m1/s1
InChIKeyQFARLCLZXTXMGV-ZCFIWIBFSA-N
MW299.21 g/mol
LogP3.70
Rot. Bonds3

About (3R)-3-[3,5-bis(trifluoromethyl)phenyl]butanamide

(3R)-3-[3,5-bis(trifluoromethyl)phenyl]butanamide (PubChem CID 87395828) has the molecular formula C12H11F6NO and a molecular weight of 299.21 g/mol. Its IUPAC name is (3R)-3-[3,5-bis(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name(3R)-3-[3,5-bis(trifluoromethyl)phenyl]butanamide
PubChem CID87395828
Molecular FormulaC12H11F6NO
Molecular Weight299.21 g/mol
Exact Mass299.07
IUPAC Name(3R)-3-[3,5-bis(trifluoromethyl)phenyl]butanamide
SMILESC[C@H](CC(N)=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H11F6NO/c1-6(2-10(19)20)7-3-8(11(13,14)15)5-9(4-7)12(16,17)18/h3-6H,2H2,1H3,(H2,19,20)/t6-/m1/s1
InChIKeyQFARLCLZXTXMGV-ZCFIWIBFSA-N
XLogP3.70
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[3,5-bis(trifluoromethyl)phenyl]butanamide
CID 173252522
(2R)-2-[3,5-bis(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 20599034
3-(3,5-dichlorophenyl)butanamide
CID 173252327
N-[(2R)-2-[3,5-bis(trifluoromethyl)phenyl]propyl]-2,2,2-trifluoroacetamide
CID 87830198
3-[3-fluoro-5-(trifluoromethyl)phenyl]-3-(methylamino)propanamide
CID 115351328
(3R)-3-[3,5-bis(trifluoromethyl)phenyl]-3-fluorobutanamide
CID 89166343
3-[3,5-bis(trifluoromethyl)phenyl]-3-hydroxybutanamide
CID 89166264
methyl (3R)-3-amino-3-[3,5-bis(trifluoromethyl)phenyl]propanoate;hydrochloride
CID 171245726
ethyl 2-[3,5-bis(trifluoromethyl)phenyl]-2-fluoroacetate
CID 134832982
ethyl 2-amino-2-[3,5-bis(trifluoromethyl)phenyl]acetate
CID 79015790
3-[3-fluoro-5-(trifluoromethyl)phenyl]-3-(propylamino)propanamide
CID 115351332
3-[3-(trifluoromethyl)phenyl]hexanamide
CID 112509132

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[3,5-bis(trifluoromethyl)phenyl]butanamide?
The IUPAC name of (3R)-3-[3,5-bis(trifluoromethyl)phenyl]butanamide (CID 87395828) is (3R)-3-[3,5-bis(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for (3R)-3-[3,5-bis(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for (3R)-3-[3,5-bis(trifluoromethyl)phenyl]butanamide is C[C@H](CC(N)=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of (3R)-3-[3,5-bis(trifluoromethyl)phenyl]butanamide?
The InChIKey is QFARLCLZXTXMGV-ZCFIWIBFSA-N. The full InChI is InChI=1S/C12H11F6NO/c1-6(2-10(19)20)7-3-8(11(13,14)15)5-9(4-7)12(16,17)18/h3-6H,2H2,1H3,(H2,19,20)/t6-/m1/s1.
What are the key properties of (3R)-3-[3,5-bis(trifluoromethyl)phenyl]butanamide?
(3R)-3-[3,5-bis(trifluoromethyl)phenyl]butanamide has a molecular weight of 299.21 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[3,5-bis(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 87395828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).