2,2-dimethyl-5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclopentan-1-ol

C12H22F3NO — CID 79855134

IUPAC2,2-dimethyl-5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclopentan-1-ol
SMILESCN(CCC(F)(F)F)CC1CCC(C)(C)C1O
InChIInChI=1S/C12H22F3NO/c1-11(2)5-4-9(10(11)17)8-16(3)7-6-12(13,14)15/h9-10,17H,4-8H2,1-3H3
InChIKeyUEWFQWFKIZTQBH-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.67
Rot. Bonds4

About 2,2-dimethyl-5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclopentan-1-ol

2,2-dimethyl-5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclopentan-1-ol (PubChem CID 79855134) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 2,2-dimethyl-5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclopentan-1-ol
PubChem CID79855134
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name2,2-dimethyl-5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclopentan-1-ol
SMILESCN(CCC(F)(F)F)CC1CCC(C)(C)C1O
InChIInChI=1S/C12H22F3NO/c1-11(2)5-4-9(10(11)17)8-16(3)7-6-12(13,14)15/h9-10,17H,4-8H2,1-3H3
InChIKeyUEWFQWFKIZTQBH-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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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 2,2-dimethyl-5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclopentan-1-ol (CID 79855134) is 2,2-dimethyl-5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 2,2-dimethyl-5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 2,2-dimethyl-5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclopentan-1-ol is CN(CCC(F)(F)F)CC1CCC(C)(C)C1O.
What is the InChIKey of 2,2-dimethyl-5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclopentan-1-ol?
The InChIKey is UEWFQWFKIZTQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-11(2)5-4-9(10(11)17)8-16(3)7-6-12(13,14)15/h9-10,17H,4-8H2,1-3H3.
What are the key properties of 2,2-dimethyl-5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclopentan-1-ol?
2,2-dimethyl-5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclopentan-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 2,2-dimethyl-5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 79855134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).