N-cyclopropyl-3,3,3-trifluoro-N-(3-methylbutyl)propanamide

C11H18F3NO — CID 51079905

IUPACN-cyclopropyl-3,3,3-trifluoro-N-(3-methylbutyl)propanamide
SMILESCC(C)CCN(C(=O)CC(F)(F)F)C1CC1
InChIInChI=1S/C11H18F3NO/c1-8(2)5-6-15(9-3-4-9)10(16)7-11(12,13)14/h8-9H,3-7H2,1-2H3
InChIKeyDLUGPOBVWNXPPJ-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.98
Rot. Bonds5

About N-cyclopropyl-3,3,3-trifluoro-N-(3-methylbutyl)propanamide

N-cyclopropyl-3,3,3-trifluoro-N-(3-methylbutyl)propanamide (PubChem CID 51079905) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is N-cyclopropyl-3,3,3-trifluoro-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3,3,3-trifluoro-N-(3-methylbutyl)propanamide
PubChem CID51079905
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC NameN-cyclopropyl-3,3,3-trifluoro-N-(3-methylbutyl)propanamide
SMILESCC(C)CCN(C(=O)CC(F)(F)F)C1CC1
InChIInChI=1S/C11H18F3NO/c1-8(2)5-6-15(9-3-4-9)10(16)7-11(12,13)14/h8-9H,3-7H2,1-2H3
InChIKeyDLUGPOBVWNXPPJ-UHFFFAOYSA-N
XLogP2.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3,3,3-trifluoro-N-(3-methylbutyl)propanamide?
The IUPAC name of N-cyclopropyl-3,3,3-trifluoro-N-(3-methylbutyl)propanamide (CID 51079905) is N-cyclopropyl-3,3,3-trifluoro-N-(3-methylbutyl)propanamide.
What is the SMILES notation for N-cyclopropyl-3,3,3-trifluoro-N-(3-methylbutyl)propanamide?
The canonical SMILES for N-cyclopropyl-3,3,3-trifluoro-N-(3-methylbutyl)propanamide is CC(C)CCN(C(=O)CC(F)(F)F)C1CC1.
What is the InChIKey of N-cyclopropyl-3,3,3-trifluoro-N-(3-methylbutyl)propanamide?
The InChIKey is DLUGPOBVWNXPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c1-8(2)5-6-15(9-3-4-9)10(16)7-11(12,13)14/h8-9H,3-7H2,1-2H3.
What are the key properties of N-cyclopropyl-3,3,3-trifluoro-N-(3-methylbutyl)propanamide?
N-cyclopropyl-3,3,3-trifluoro-N-(3-methylbutyl)propanamide has a molecular weight of 237.26 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3,3,3-trifluoro-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 51079905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).