3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propanamide

C7H9F6NO — CID 2748450

IUPAC3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propanamide
SMILESCCCNC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H9F6NO/c1-2-3-14-5(15)4(6(8,9)10)7(11,12)13/h4H,2-3H2,1H3,(H,14,15)
InChIKeyPVPTUVBPQAFMGV-UHFFFAOYSA-N
MW237.14 g/mol
LogP2.25
Rot. Bonds3

About 3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propanamide

3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propanamide (PubChem CID 2748450) has the molecular formula C7H9F6NO and a molecular weight of 237.14 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propanamide
PubChem CID2748450
Molecular FormulaC7H9F6NO
Molecular Weight237.14 g/mol
Exact Mass237.06
IUPAC Name3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propanamide
SMILESCCCNC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H9F6NO/c1-2-3-14-5(15)4(6(8,9)10)7(11,12)13/h4H,2-3H2,1H3,(H,14,15)
InChIKeyPVPTUVBPQAFMGV-UHFFFAOYSA-N
XLogP2.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.14
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propanamide (CID 2748450) is 3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propanamide is CCCNC(=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propanamide?
The InChIKey is PVPTUVBPQAFMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F6NO/c1-2-3-14-5(15)4(6(8,9)10)7(11,12)13/h4H,2-3H2,1H3,(H,14,15).
What are the key properties of 3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propanamide?
3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propanamide has a molecular weight of 237.14 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 2748450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).