1-[[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]cyclopentan-1-ol

C11H20F3NO2 — CID 115758625

IUPAC1-[[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]cyclopentan-1-ol
SMILESCN(CCOCC(F)(F)F)CC1(O)CCCC1
InChIInChI=1S/C11H20F3NO2/c1-15(6-7-17-9-11(12,13)14)8-10(16)4-2-3-5-10/h16H,2-9H2,1H3
InChIKeyBHOOQFHZNDJWTJ-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.80
Rot. Bonds6

About 1-[[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]cyclopentan-1-ol

1-[[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]cyclopentan-1-ol (PubChem CID 115758625) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-[[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]cyclopentan-1-ol
PubChem CID115758625
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name1-[[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]cyclopentan-1-ol
SMILESCN(CCOCC(F)(F)F)CC1(O)CCCC1
InChIInChI=1S/C11H20F3NO2/c1-15(6-7-17-9-11(12,13)14)8-10(16)4-2-3-5-10/h16H,2-9H2,1H3
InChIKeyBHOOQFHZNDJWTJ-UHFFFAOYSA-N
XLogP1.80
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[[methyl(2-propoxyethyl)amino]methyl]cyclopentan-1-ol
CID 106456276
2-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid
CID 61490462
1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropan-1-ol
CID 103212074
3-[[2-(2-methoxyethoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol
CID 114761139
3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 61490646
1-[[2,2-dimethylpropyl(methyl)amino]methyl]cyclopentan-1-ol
CID 65212839
1-[[dodecyl(methyl)amino]methyl]cyclopentan-1-ol
CID 114952592
1-[[6-hydroxyhexyl(methyl)amino]methyl]cyclopentan-1-ol
CID 103839075
4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxan-4-ol
CID 115746978
2-[2-[[1-(hydroxymethyl)cyclohexyl]methyl-methylamino]ethoxy]ethanol
CID 114243666
1-[[methyl-[2-(propan-2-ylamino)ethyl]amino]methyl]cyclopentan-1-ol
CID 114952468
1-[(2,2,2-trifluoroethoxyamino)methyl]cycloheptan-1-ol
CID 82722622

Frequently Asked Questions

What is the IUPAC name of 1-[[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]cyclopentan-1-ol (CID 115758625) is 1-[[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]cyclopentan-1-ol is CN(CCOCC(F)(F)F)CC1(O)CCCC1.
What is the InChIKey of 1-[[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]cyclopentan-1-ol?
The InChIKey is BHOOQFHZNDJWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-15(6-7-17-9-11(12,13)14)8-10(16)4-2-3-5-10/h16H,2-9H2,1H3.
What are the key properties of 1-[[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]cyclopentan-1-ol?
1-[[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]cyclopentan-1-ol has a molecular weight of 255.28 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 115758625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).