2-(1-hydroxycyclopentyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)acetamide

C14H24F3NO2 — CID 110003205

IUPAC2-(1-hydroxycyclopentyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)acetamide
SMILESCC(C)(C)CC(NC(=O)CC1(O)CCCC1)C(F)(F)F
InChIInChI=1S/C14H24F3NO2/c1-12(2,3)8-10(14(15,16)17)18-11(19)9-13(20)6-4-5-7-13/h10,20H,4-9H2,1-3H3,(H,18,19)
InChIKeyLMYXNJTYMGYEFW-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.16
Rot. Bonds4

About 2-(1-hydroxycyclopentyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)acetamide

2-(1-hydroxycyclopentyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)acetamide (PubChem CID 110003205) has the molecular formula C14H24F3NO2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-(1-hydroxycyclopentyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-hydroxycyclopentyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)acetamide
PubChem CID110003205
Molecular FormulaC14H24F3NO2
Molecular Weight295.34 g/mol
Exact Mass295.18
IUPAC Name2-(1-hydroxycyclopentyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)acetamide
SMILESCC(C)(C)CC(NC(=O)CC1(O)CCCC1)C(F)(F)F
InChIInChI=1S/C14H24F3NO2/c1-12(2,3)8-10(14(15,16)17)18-11(19)9-13(20)6-4-5-7-13/h10,20H,4-9H2,1-3H3,(H,18,19)
InChIKeyLMYXNJTYMGYEFW-UHFFFAOYSA-N
XLogP3.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclopentyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)acetamide?
The IUPAC name of 2-(1-hydroxycyclopentyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)acetamide (CID 110003205) is 2-(1-hydroxycyclopentyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)acetamide.
What is the SMILES notation for 2-(1-hydroxycyclopentyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)acetamide?
The canonical SMILES for 2-(1-hydroxycyclopentyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)acetamide is CC(C)(C)CC(NC(=O)CC1(O)CCCC1)C(F)(F)F.
What is the InChIKey of 2-(1-hydroxycyclopentyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)acetamide?
The InChIKey is LMYXNJTYMGYEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO2/c1-12(2,3)8-10(14(15,16)17)18-11(19)9-13(20)6-4-5-7-13/h10,20H,4-9H2,1-3H3,(H,18,19).
What are the key properties of 2-(1-hydroxycyclopentyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)acetamide?
2-(1-hydroxycyclopentyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)acetamide has a molecular weight of 295.34 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclopentyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)acetamide is sourced from PubChem (CID 110003205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).