(2R)-2-[2,5-bis(trifluoromethyl)phenyl]propanamide

C11H9F6NO — CID 87488611

IUPAC(2R)-2-[2,5-bis(trifluoromethyl)phenyl]propanamide
SMILESC[C@@H](C(N)=O)c1cc(C(F)(F)F)ccc1C(F)(F)F
InChIInChI=1S/C11H9F6NO/c1-5(9(18)19)7-4-6(10(12,13)14)2-3-8(7)11(15,16)17/h2-5H,1H3,(H2,18,19)/t5-/m1/s1
InChIKeyVJHQEOUXCOUQSM-RXMQYKEDSA-N
MW285.19 g/mol
LogP3.31
Rot. Bonds2

About (2R)-2-[2,5-bis(trifluoromethyl)phenyl]propanamide

(2R)-2-[2,5-bis(trifluoromethyl)phenyl]propanamide (PubChem CID 87488611) has the molecular formula C11H9F6NO and a molecular weight of 285.19 g/mol. Its IUPAC name is (2R)-2-[2,5-bis(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[2,5-bis(trifluoromethyl)phenyl]propanamide
PubChem CID87488611
Molecular FormulaC11H9F6NO
Molecular Weight285.19 g/mol
Exact Mass285.06
IUPAC Name(2R)-2-[2,5-bis(trifluoromethyl)phenyl]propanamide
SMILESC[C@@H](C(N)=O)c1cc(C(F)(F)F)ccc1C(F)(F)F
InChIInChI=1S/C11H9F6NO/c1-5(9(18)19)7-4-6(10(12,13)14)2-3-8(7)11(15,16)17/h2-5H,1H3,(H2,18,19)/t5-/m1/s1
InChIKeyVJHQEOUXCOUQSM-RXMQYKEDSA-N
XLogP3.31
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2,5-bis(trifluoromethyl)phenyl]propanamide?
The IUPAC name of (2R)-2-[2,5-bis(trifluoromethyl)phenyl]propanamide (CID 87488611) is (2R)-2-[2,5-bis(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-[2,5-bis(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for (2R)-2-[2,5-bis(trifluoromethyl)phenyl]propanamide is C[C@@H](C(N)=O)c1cc(C(F)(F)F)ccc1C(F)(F)F.
What is the InChIKey of (2R)-2-[2,5-bis(trifluoromethyl)phenyl]propanamide?
The InChIKey is VJHQEOUXCOUQSM-RXMQYKEDSA-N. The full InChI is InChI=1S/C11H9F6NO/c1-5(9(18)19)7-4-6(10(12,13)14)2-3-8(7)11(15,16)17/h2-5H,1H3,(H2,18,19)/t5-/m1/s1.
What are the key properties of (2R)-2-[2,5-bis(trifluoromethyl)phenyl]propanamide?
(2R)-2-[2,5-bis(trifluoromethyl)phenyl]propanamide has a molecular weight of 285.19 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2,5-bis(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 87488611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).