1-[[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclopentan-1-ol

C10H18F3NO2 — CID 115899445

IUPAC1-[[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclopentan-1-ol
SMILESCN(CC(O)C(F)(F)F)CC1(O)CCCC1
InChIInChI=1S/C10H18F3NO2/c1-14(6-8(15)10(11,12)13)7-9(16)4-2-3-5-9/h8,15-16H,2-7H2,1H3
InChIKeyZVZKJYKVWSTJPE-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.15
Rot. Bonds4

About 1-[[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclopentan-1-ol

1-[[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclopentan-1-ol (PubChem CID 115899445) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 1-[[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclopentan-1-ol
PubChem CID115899445
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name1-[[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclopentan-1-ol
SMILESCN(CC(O)C(F)(F)F)CC1(O)CCCC1
InChIInChI=1S/C10H18F3NO2/c1-14(6-8(15)10(11,12)13)7-9(16)4-2-3-5-9/h8,15-16H,2-7H2,1H3
InChIKeyZVZKJYKVWSTJPE-UHFFFAOYSA-N
XLogP1.15
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclopentan-1-ol (CID 115899445) is 1-[[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclopentan-1-ol is CN(CC(O)C(F)(F)F)CC1(O)CCCC1.
What is the InChIKey of 1-[[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclopentan-1-ol?
The InChIKey is ZVZKJYKVWSTJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-14(6-8(15)10(11,12)13)7-9(16)4-2-3-5-9/h8,15-16H,2-7H2,1H3.
What are the key properties of 1-[[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclopentan-1-ol?
1-[[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclopentan-1-ol has a molecular weight of 241.25 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 115899445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).