3,3,3-trifluoro-N-(2-hydroxycycloheptyl)-2-(trifluoromethyl)propanamide

C11H15F6NO2 — CID 103310228

IUPAC3,3,3-trifluoro-N-(2-hydroxycycloheptyl)-2-(trifluoromethyl)propanamide
SMILESO=C(NC1CCCCCC1O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H15F6NO2/c12-10(13,14)8(11(15,16)17)9(20)18-6-4-2-1-3-5-7(6)19/h6-8,19H,1-5H2,(H,18,20)
InChIKeyMKADRVOFNJLQHJ-UHFFFAOYSA-N
MW307.23 g/mol
LogP2.54
Rot. Bonds2

About 3,3,3-trifluoro-N-(2-hydroxycycloheptyl)-2-(trifluoromethyl)propanamide

3,3,3-trifluoro-N-(2-hydroxycycloheptyl)-2-(trifluoromethyl)propanamide (PubChem CID 103310228) has the molecular formula C11H15F6NO2 and a molecular weight of 307.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(2-hydroxycycloheptyl)-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(2-hydroxycycloheptyl)-2-(trifluoromethyl)propanamide
PubChem CID103310228
Molecular FormulaC11H15F6NO2
Molecular Weight307.23 g/mol
Exact Mass307.10
IUPAC Name3,3,3-trifluoro-N-(2-hydroxycycloheptyl)-2-(trifluoromethyl)propanamide
SMILESO=C(NC1CCCCCC1O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H15F6NO2/c12-10(13,14)8(11(15,16)17)9(20)18-6-4-2-1-3-5-7(6)19/h6-8,19H,1-5H2,(H,18,20)
InChIKeyMKADRVOFNJLQHJ-UHFFFAOYSA-N
XLogP2.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 52.54
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-(2-hydroxycycloheptyl)-2-(trifluoromethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(2-hydroxycycloheptyl)-2-(trifluoromethyl)propanamide (CID 103310228) is 3,3,3-trifluoro-N-(2-hydroxycycloheptyl)-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(2-hydroxycycloheptyl)-2-(trifluoromethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(2-hydroxycycloheptyl)-2-(trifluoromethyl)propanamide is O=C(NC1CCCCCC1O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-(2-hydroxycycloheptyl)-2-(trifluoromethyl)propanamide?
The InChIKey is MKADRVOFNJLQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F6NO2/c12-10(13,14)8(11(15,16)17)9(20)18-6-4-2-1-3-5-7(6)19/h6-8,19H,1-5H2,(H,18,20).
What are the key properties of 3,3,3-trifluoro-N-(2-hydroxycycloheptyl)-2-(trifluoromethyl)propanamide?
3,3,3-trifluoro-N-(2-hydroxycycloheptyl)-2-(trifluoromethyl)propanamide has a molecular weight of 307.23 g/mol, XLogP of 2.54, 2 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-(2-hydroxycycloheptyl)-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103310228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).