N-cyclopropyl-4,4,4-trifluoro-N,3-dimethylbutanamide

C9H14F3NO — CID 175395381

IUPACN-cyclopropyl-4,4,4-trifluoro-N,3-dimethylbutanamide
SMILESCC(CC(=O)N(C)C1CC1)C(F)(F)F
InChIInChI=1S/C9H14F3NO/c1-6(9(10,11)12)5-8(14)13(2)7-3-4-7/h6-7H,3-5H2,1-2H3
InChIKeyZHPGMOXTHMHWAM-UHFFFAOYSA-N
MW209.21 g/mol
LogP2.20
Rot. Bonds3

About N-cyclopropyl-4,4,4-trifluoro-N,3-dimethylbutanamide

N-cyclopropyl-4,4,4-trifluoro-N,3-dimethylbutanamide (PubChem CID 175395381) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is N-cyclopropyl-4,4,4-trifluoro-N,3-dimethylbutanamide.

Molecular Properties

Compound NameN-cyclopropyl-4,4,4-trifluoro-N,3-dimethylbutanamide
PubChem CID175395381
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC NameN-cyclopropyl-4,4,4-trifluoro-N,3-dimethylbutanamide
SMILESCC(CC(=O)N(C)C1CC1)C(F)(F)F
InChIInChI=1S/C9H14F3NO/c1-6(9(10,11)12)5-8(14)13(2)7-3-4-7/h6-7H,3-5H2,1-2H3
InChIKeyZHPGMOXTHMHWAM-UHFFFAOYSA-N
XLogP2.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4,4,4-trifluoro-N,3-dimethylbutanamide?
The IUPAC name of N-cyclopropyl-4,4,4-trifluoro-N,3-dimethylbutanamide (CID 175395381) is N-cyclopropyl-4,4,4-trifluoro-N,3-dimethylbutanamide.
What is the SMILES notation for N-cyclopropyl-4,4,4-trifluoro-N,3-dimethylbutanamide?
The canonical SMILES for N-cyclopropyl-4,4,4-trifluoro-N,3-dimethylbutanamide is CC(CC(=O)N(C)C1CC1)C(F)(F)F.
What is the InChIKey of N-cyclopropyl-4,4,4-trifluoro-N,3-dimethylbutanamide?
The InChIKey is ZHPGMOXTHMHWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c1-6(9(10,11)12)5-8(14)13(2)7-3-4-7/h6-7H,3-5H2,1-2H3.
What are the key properties of N-cyclopropyl-4,4,4-trifluoro-N,3-dimethylbutanamide?
N-cyclopropyl-4,4,4-trifluoro-N,3-dimethylbutanamide has a molecular weight of 209.21 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4,4,4-trifluoro-N,3-dimethylbutanamide is sourced from PubChem (CID 175395381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).