(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

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Related Compounds

3-[3,5-bis(trifluoromethyl)phenyl]-3-hydroxybutanamide
CID 89166264
2-amino-2-[3,5-bis(trifluoromethyl)phenyl]propan-1-ol
CID 54979927
2-[3,5-bis(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 87486222
3-tert-butyl-5-(trifluoromethyl)benzamide
CID 176746545
(3R)-3-[3,5-bis(trifluoromethyl)phenyl]butanamide
CID 87395828
3-[3,5-bis(trifluoromethyl)phenyl]butanamide
CID 173252522
3-(ethylamino)-3-[3-(trifluoromethyl)phenyl]butanamide
CID 65234342
3-[3,5-bis(trifluoromethyl)phenyl]but-3-enamide
CID 99942324
3-(2-amino-2-oxoethyl)-3-methylpentanediamide
CID 86237649
3,5-bis(trifluoromethyl)benzoic acid;ethane
CID 143967931
(2R)-2-[3,5-bis(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 20599034
N-[(2S)-1-amino-3,3-dimethylbutan-2-yl]-3,5-bis(trifluoromethyl)benzamide
CID 129289013

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).