3,3,3-trifluoro-N-(5-hydroxypentan-2-yl)-2-(trifluoromethyl)propanamide

C9H13F6NO2 — CID 103310214

IUPAC3,3,3-trifluoro-N-(5-hydroxypentan-2-yl)-2-(trifluoromethyl)propanamide
SMILESCC(CCCO)NC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H13F6NO2/c1-5(3-2-4-17)16-7(18)6(8(10,11)12)9(13,14)15/h5-6,17H,2-4H2,1H3,(H,16,18)
InChIKeyWZHSCIZPDNRWJW-UHFFFAOYSA-N
MW281.20 g/mol
LogP2.00
Rot. Bonds5

About 3,3,3-trifluoro-N-(5-hydroxypentan-2-yl)-2-(trifluoromethyl)propanamide

3,3,3-trifluoro-N-(5-hydroxypentan-2-yl)-2-(trifluoromethyl)propanamide (PubChem CID 103310214) has the molecular formula C9H13F6NO2 and a molecular weight of 281.20 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(5-hydroxypentan-2-yl)-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(5-hydroxypentan-2-yl)-2-(trifluoromethyl)propanamide
PubChem CID103310214
Molecular FormulaC9H13F6NO2
Molecular Weight281.20 g/mol
Exact Mass281.09
IUPAC Name3,3,3-trifluoro-N-(5-hydroxypentan-2-yl)-2-(trifluoromethyl)propanamide
SMILESCC(CCCO)NC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H13F6NO2/c1-5(3-2-4-17)16-7(18)6(8(10,11)12)9(13,14)15/h5-6,17H,2-4H2,1H3,(H,16,18)
InChIKeyWZHSCIZPDNRWJW-UHFFFAOYSA-N
XLogP2.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(5-hydroxypentan-2-yl)-2-(trifluoromethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(5-hydroxypentan-2-yl)-2-(trifluoromethyl)propanamide (CID 103310214) is 3,3,3-trifluoro-N-(5-hydroxypentan-2-yl)-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(5-hydroxypentan-2-yl)-2-(trifluoromethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(5-hydroxypentan-2-yl)-2-(trifluoromethyl)propanamide is CC(CCCO)NC(=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-(5-hydroxypentan-2-yl)-2-(trifluoromethyl)propanamide?
The InChIKey is WZHSCIZPDNRWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F6NO2/c1-5(3-2-4-17)16-7(18)6(8(10,11)12)9(13,14)15/h5-6,17H,2-4H2,1H3,(H,16,18).
What are the key properties of 3,3,3-trifluoro-N-(5-hydroxypentan-2-yl)-2-(trifluoromethyl)propanamide?
3,3,3-trifluoro-N-(5-hydroxypentan-2-yl)-2-(trifluoromethyl)propanamide has a molecular weight of 281.20 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(5-hydroxypentan-2-yl)-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103310214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).