3,3,3-trifluoro-N,N-di(propan-2-yl)propanamide

C9H16F3NO — CID 23236969

IUPAC3,3,3-trifluoro-N,N-di(propan-2-yl)propanamide
SMILESCC(C)N(C(=O)CC(F)(F)F)C(C)C
InChIInChI=1S/C9H16F3NO/c1-6(2)13(7(3)4)8(14)5-9(10,11)12/h6-7H,5H2,1-4H3
InChIKeyPSUGXNOSWVNLBV-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.58
Rot. Bonds3

About 3,3,3-trifluoro-N,N-di(propan-2-yl)propanamide

3,3,3-trifluoro-N,N-di(propan-2-yl)propanamide (PubChem CID 23236969) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-N,N-di(propan-2-yl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N,N-di(propan-2-yl)propanamide
PubChem CID23236969
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name3,3,3-trifluoro-N,N-di(propan-2-yl)propanamide
SMILESCC(C)N(C(=O)CC(F)(F)F)C(C)C
InChIInChI=1S/C9H16F3NO/c1-6(2)13(7(3)4)8(14)5-9(10,11)12/h6-7H,5H2,1-4H3
InChIKeyPSUGXNOSWVNLBV-UHFFFAOYSA-N
XLogP2.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N,N-di(propan-2-yl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N,N-di(propan-2-yl)propanamide (CID 23236969) is 3,3,3-trifluoro-N,N-di(propan-2-yl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N,N-di(propan-2-yl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N,N-di(propan-2-yl)propanamide is CC(C)N(C(=O)CC(F)(F)F)C(C)C.
What is the InChIKey of 3,3,3-trifluoro-N,N-di(propan-2-yl)propanamide?
The InChIKey is PSUGXNOSWVNLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-6(2)13(7(3)4)8(14)5-9(10,11)12/h6-7H,5H2,1-4H3.
What are the key properties of 3,3,3-trifluoro-N,N-di(propan-2-yl)propanamide?
3,3,3-trifluoro-N,N-di(propan-2-yl)propanamide has a molecular weight of 211.23 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N,N-di(propan-2-yl)propanamide is sourced from PubChem (CID 23236969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).