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

C12H10F7NO — CID 89166343

IUPAC(3R)-3-[3,5-bis(trifluoromethyl)phenyl]-3-fluorobutanamide
SMILESC[C@@](F)(CC(N)=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H10F7NO/c1-10(13,5-9(20)21)6-2-7(11(14,15)16)4-8(3-6)12(17,18)19/h2-4H,5H2,1H3,(H2,20,21)/t10-/m1/s1
InChIKeyIMVOYHXEOPUATI-SNVBAGLBSA-N
MW317.20 g/mol
LogP3.78
Rot. Bonds3

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

(3R)-3-[3,5-bis(trifluoromethyl)phenyl]-3-fluorobutanamide (PubChem CID 89166343) has the molecular formula C12H10F7NO and a molecular weight of 317.20 g/mol. Its IUPAC name is (3R)-3-[3,5-bis(trifluoromethyl)phenyl]-3-fluorobutanamide.

Molecular Properties

Compound Name(3R)-3-[3,5-bis(trifluoromethyl)phenyl]-3-fluorobutanamide
PubChem CID89166343
Molecular FormulaC12H10F7NO
Molecular Weight317.20 g/mol
Exact Mass317.07
IUPAC Name(3R)-3-[3,5-bis(trifluoromethyl)phenyl]-3-fluorobutanamide
SMILESC[C@@](F)(CC(N)=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H10F7NO/c1-10(13,5-9(20)21)6-2-7(11(14,15)16)4-8(3-6)12(17,18)19/h2-4H,5H2,1H3,(H2,20,21)/t10-/m1/s1
InChIKeyIMVOYHXEOPUATI-SNVBAGLBSA-N
XLogP3.78
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3R)-3-[3,5-bis(trifluoromethyl)phenyl]-3-fluorobutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[3,5-bis(trifluoromethyl)phenyl]-3-fluorobutanamide?
The IUPAC name of (3R)-3-[3,5-bis(trifluoromethyl)phenyl]-3-fluorobutanamide (CID 89166343) is (3R)-3-[3,5-bis(trifluoromethyl)phenyl]-3-fluorobutanamide.
What is the SMILES notation for (3R)-3-[3,5-bis(trifluoromethyl)phenyl]-3-fluorobutanamide?
The canonical SMILES for (3R)-3-[3,5-bis(trifluoromethyl)phenyl]-3-fluorobutanamide is C[C@@](F)(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]-3-fluorobutanamide?
The InChIKey is IMVOYHXEOPUATI-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H10F7NO/c1-10(13,5-9(20)21)6-2-7(11(14,15)16)4-8(3-6)12(17,18)19/h2-4H,5H2,1H3,(H2,20,21)/t10-/m1/s1.
What are the key properties of (3R)-3-[3,5-bis(trifluoromethyl)phenyl]-3-fluorobutanamide?
(3R)-3-[3,5-bis(trifluoromethyl)phenyl]-3-fluorobutanamide has a molecular weight of 317.20 g/mol, XLogP of 3.78, 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]-3-fluorobutanamide is sourced from PubChem (CID 89166343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).