5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol

C13H22F3NO — CID 79855432

IUPAC5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol
SMILESCC1(C)CCC(CN(CC(F)(F)F)C2CC2)C1O
InChIInChI=1S/C13H22F3NO/c1-12(2)6-5-9(11(12)18)7-17(10-3-4-10)8-13(14,15)16/h9-11,18H,3-8H2,1-2H3
InChIKeyFIIHJEZLCQJAFV-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.81
Rot. Bonds4

About 5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol

5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol (PubChem CID 79855432) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is 5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol
PubChem CID79855432
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol
SMILESCC1(C)CCC(CN(CC(F)(F)F)C2CC2)C1O
InChIInChI=1S/C13H22F3NO/c1-12(2)6-5-9(11(12)18)7-17(10-3-4-10)8-13(14,15)16/h9-11,18H,3-8H2,1-2H3
InChIKeyFIIHJEZLCQJAFV-UHFFFAOYSA-N
XLogP2.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol?
The IUPAC name of 5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol (CID 79855432) is 5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol.
What is the SMILES notation for 5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol?
The canonical SMILES for 5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol is CC1(C)CCC(CN(CC(F)(F)F)C2CC2)C1O.
What is the InChIKey of 5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol?
The InChIKey is FIIHJEZLCQJAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c1-12(2)6-5-9(11(12)18)7-17(10-3-4-10)8-13(14,15)16/h9-11,18H,3-8H2,1-2H3.
What are the key properties of 5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol?
5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol has a molecular weight of 265.32 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol is sourced from PubChem (CID 79855432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).