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

C9H16F3NO — CID 79642436

IUPAC3-[methyl(3,3,3-trifluoropropyl)amino]cyclopentan-1-ol
SMILESCN(CCC(F)(F)F)C1CCC(O)C1
InChIInChI=1S/C9H16F3NO/c1-13(5-4-9(10,11)12)7-2-3-8(14)6-7/h7-8,14H,2-6H2,1H3
InChIKeyHYXAUJCZFXCZDM-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.78
Rot. Bonds3

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

3-[methyl(3,3,3-trifluoropropyl)amino]cyclopentan-1-ol (PubChem CID 79642436) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 3-[methyl(3,3,3-trifluoropropyl)amino]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[methyl(3,3,3-trifluoropropyl)amino]cyclopentan-1-ol
PubChem CID79642436
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name3-[methyl(3,3,3-trifluoropropyl)amino]cyclopentan-1-ol
SMILESCN(CCC(F)(F)F)C1CCC(O)C1
InChIInChI=1S/C9H16F3NO/c1-13(5-4-9(10,11)12)7-2-3-8(14)6-7/h7-8,14H,2-6H2,1H3
InChIKeyHYXAUJCZFXCZDM-UHFFFAOYSA-N
XLogP1.78
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(3,3,3-trifluoropropyl)amino]cyclopentan-1-ol?
The IUPAC name of 3-[methyl(3,3,3-trifluoropropyl)amino]cyclopentan-1-ol (CID 79642436) is 3-[methyl(3,3,3-trifluoropropyl)amino]cyclopentan-1-ol.
What is the SMILES notation for 3-[methyl(3,3,3-trifluoropropyl)amino]cyclopentan-1-ol?
The canonical SMILES for 3-[methyl(3,3,3-trifluoropropyl)amino]cyclopentan-1-ol is CN(CCC(F)(F)F)C1CCC(O)C1.
What is the InChIKey of 3-[methyl(3,3,3-trifluoropropyl)amino]cyclopentan-1-ol?
The InChIKey is HYXAUJCZFXCZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-13(5-4-9(10,11)12)7-2-3-8(14)6-7/h7-8,14H,2-6H2,1H3.
What are the key properties of 3-[methyl(3,3,3-trifluoropropyl)amino]cyclopentan-1-ol?
3-[methyl(3,3,3-trifluoropropyl)amino]cyclopentan-1-ol has a molecular weight of 211.23 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(3,3,3-trifluoropropyl)amino]cyclopentan-1-ol is sourced from PubChem (CID 79642436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).