2,2-dimethyl-5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol

C13H24F3NO — CID 79855514

IUPAC2,2-dimethyl-5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol
SMILESCCCN(CC1CCC(C)(C)C1O)CC(F)(F)F
InChIInChI=1S/C13H24F3NO/c1-4-7-17(9-13(14,15)16)8-10-5-6-12(2,3)11(10)18/h10-11,18H,4-9H2,1-3H3
InChIKeyFKOTWXMBZSBGRS-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.06
Rot. Bonds5

About 2,2-dimethyl-5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol

2,2-dimethyl-5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol (PubChem CID 79855514) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 2,2-dimethyl-5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol
PubChem CID79855514
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name2,2-dimethyl-5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol
SMILESCCCN(CC1CCC(C)(C)C1O)CC(F)(F)F
InChIInChI=1S/C13H24F3NO/c1-4-7-17(9-13(14,15)16)8-10-5-6-12(2,3)11(10)18/h10-11,18H,4-9H2,1-3H3
InChIKeyFKOTWXMBZSBGRS-UHFFFAOYSA-N
XLogP3.06
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 2,2-dimethyl-5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol (CID 79855514) is 2,2-dimethyl-5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 2,2-dimethyl-5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 2,2-dimethyl-5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol is CCCN(CC1CCC(C)(C)C1O)CC(F)(F)F.
What is the InChIKey of 2,2-dimethyl-5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol?
The InChIKey is FKOTWXMBZSBGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-4-7-17(9-13(14,15)16)8-10-5-6-12(2,3)11(10)18/h10-11,18H,4-9H2,1-3H3.
What are the key properties of 2,2-dimethyl-5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol?
2,2-dimethyl-5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol has a molecular weight of 267.33 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 79855514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).