4,4,4-trifluoro-N-[1-(3-hydroxycyclobutyl)propyl]butanamide

C11H18F3NO2 — CID 91768221

IUPAC4,4,4-trifluoro-N-[1-(3-hydroxycyclobutyl)propyl]butanamide
SMILESCCC(NC(=O)CCC(F)(F)F)C1CC(O)C1
InChIInChI=1S/C11H18F3NO2/c1-2-9(7-5-8(16)6-7)15-10(17)3-4-11(12,13)14/h7-9,16H,2-6H2,1H3,(H,15,17)
InChIKeyHKZCTVSLDZXSHO-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.99
Rot. Bonds5

About 4,4,4-trifluoro-N-[1-(3-hydroxycyclobutyl)propyl]butanamide

4,4,4-trifluoro-N-[1-(3-hydroxycyclobutyl)propyl]butanamide (PubChem CID 91768221) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[1-(3-hydroxycyclobutyl)propyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[1-(3-hydroxycyclobutyl)propyl]butanamide
PubChem CID91768221
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name4,4,4-trifluoro-N-[1-(3-hydroxycyclobutyl)propyl]butanamide
SMILESCCC(NC(=O)CCC(F)(F)F)C1CC(O)C1
InChIInChI=1S/C11H18F3NO2/c1-2-9(7-5-8(16)6-7)15-10(17)3-4-11(12,13)14/h7-9,16H,2-6H2,1H3,(H,15,17)
InChIKeyHKZCTVSLDZXSHO-UHFFFAOYSA-N
XLogP1.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[1-(3-hydroxycyclobutyl)propyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[1-(3-hydroxycyclobutyl)propyl]butanamide (CID 91768221) is 4,4,4-trifluoro-N-[1-(3-hydroxycyclobutyl)propyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[1-(3-hydroxycyclobutyl)propyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[1-(3-hydroxycyclobutyl)propyl]butanamide is CCC(NC(=O)CCC(F)(F)F)C1CC(O)C1.
What is the InChIKey of 4,4,4-trifluoro-N-[1-(3-hydroxycyclobutyl)propyl]butanamide?
The InChIKey is HKZCTVSLDZXSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-2-9(7-5-8(16)6-7)15-10(17)3-4-11(12,13)14/h7-9,16H,2-6H2,1H3,(H,15,17).
What are the key properties of 4,4,4-trifluoro-N-[1-(3-hydroxycyclobutyl)propyl]butanamide?
4,4,4-trifluoro-N-[1-(3-hydroxycyclobutyl)propyl]butanamide has a molecular weight of 253.26 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[1-(3-hydroxycyclobutyl)propyl]butanamide is sourced from PubChem (CID 91768221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).