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

C12H22F3NO — CID 79855353

IUPAC5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol
SMILESCCN(CC1CCC(C)(C)C1O)CC(F)(F)F
InChIInChI=1S/C12H22F3NO/c1-4-16(8-12(13,14)15)7-9-5-6-11(2,3)10(9)17/h9-10,17H,4-8H2,1-3H3
InChIKeyXSKLGJIFUMYHLS-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.67
Rot. Bonds4

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

5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol (PubChem CID 79855353) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol
PubChem CID79855353
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol
SMILESCCN(CC1CCC(C)(C)C1O)CC(F)(F)F
InChIInChI=1S/C12H22F3NO/c1-4-16(8-12(13,14)15)7-9-5-6-11(2,3)10(9)17/h9-10,17H,4-8H2,1-3H3
InChIKeyXSKLGJIFUMYHLS-UHFFFAOYSA-N
XLogP2.67
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79867191
6-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol
CID 107487240
N-ethyl-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79853442
2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol
CID 62609558
6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N,2,2-trimethylcyclohexan-1-amine
CID 79852225
5-[[cyclopentyl(ethyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol
CID 79855967
1-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-ethylamino]-2-methylpropan-2-ol
CID 79855042
5-[[cyclopropylmethyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol
CID 79855050
5-[[cyclopropyl(propyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol
CID 79855583
4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine
CID 66236322
5-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-2,2-dimethylcyclopentan-1-ol
CID 79855744
2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 79378005

Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol?
The IUPAC name of 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol (CID 79855353) is 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol.
What is the SMILES notation for 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol?
The canonical SMILES for 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol is CCN(CC1CCC(C)(C)C1O)CC(F)(F)F.
What is the InChIKey of 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol?
The InChIKey is XSKLGJIFUMYHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-4-16(8-12(13,14)15)7-9-5-6-11(2,3)10(9)17/h9-10,17H,4-8H2,1-3H3.
What are the key properties of 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol?
5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol has a molecular weight of 253.31 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol is sourced from PubChem (CID 79855353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).