3,3,3-trifluoro-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide

C9H16F3NO2 — CID 61039024

IUPAC3,3,3-trifluoro-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide
SMILESCC(C)N(CCCO)C(=O)CC(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-7(2)13(4-3-5-14)8(15)6-9(10,11)12/h7,14H,3-6H2,1-2H3
InChIKeyPCYBUCGJULBSSS-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.56
Rot. Bonds5

About 3,3,3-trifluoro-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide

3,3,3-trifluoro-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide (PubChem CID 61039024) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide
PubChem CID61039024
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name3,3,3-trifluoro-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide
SMILESCC(C)N(CCCO)C(=O)CC(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-7(2)13(4-3-5-14)8(15)6-9(10,11)12/h7,14H,3-6H2,1-2H3
InChIKeyPCYBUCGJULBSSS-UHFFFAOYSA-N
XLogP1.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide?
The IUPAC name of 3,3,3-trifluoro-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide (CID 61039024) is 3,3,3-trifluoro-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide is CC(C)N(CCCO)C(=O)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide?
The InChIKey is PCYBUCGJULBSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-7(2)13(4-3-5-14)8(15)6-9(10,11)12/h7,14H,3-6H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide?
3,3,3-trifluoro-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide has a molecular weight of 227.23 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 61039024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).