2-(3-aminopropyl)-1-(trifluoromethyl)cyclopentan-1-ol

C9H16F3NO — CID 84734515

IUPAC2-(3-aminopropyl)-1-(trifluoromethyl)cyclopentan-1-ol
SMILESNCCCC1CCCC1(O)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c10-9(11,12)8(14)5-1-3-7(8)4-2-6-13/h7,14H,1-6,13H2
InChIKeyRWNRASCAUPKNRM-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.82
Rot. Bonds3

About 2-(3-aminopropyl)-1-(trifluoromethyl)cyclopentan-1-ol

2-(3-aminopropyl)-1-(trifluoromethyl)cyclopentan-1-ol (PubChem CID 84734515) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 2-(3-aminopropyl)-1-(trifluoromethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name2-(3-aminopropyl)-1-(trifluoromethyl)cyclopentan-1-ol
PubChem CID84734515
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name2-(3-aminopropyl)-1-(trifluoromethyl)cyclopentan-1-ol
SMILESNCCCC1CCCC1(O)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c10-9(11,12)8(14)5-1-3-7(8)4-2-6-13/h7,14H,1-6,13H2
InChIKeyRWNRASCAUPKNRM-UHFFFAOYSA-N
XLogP1.82
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-1-(trifluoromethyl)cyclopentan-1-ol?
The IUPAC name of 2-(3-aminopropyl)-1-(trifluoromethyl)cyclopentan-1-ol (CID 84734515) is 2-(3-aminopropyl)-1-(trifluoromethyl)cyclopentan-1-ol.
What is the SMILES notation for 2-(3-aminopropyl)-1-(trifluoromethyl)cyclopentan-1-ol?
The canonical SMILES for 2-(3-aminopropyl)-1-(trifluoromethyl)cyclopentan-1-ol is NCCCC1CCCC1(O)C(F)(F)F.
What is the InChIKey of 2-(3-aminopropyl)-1-(trifluoromethyl)cyclopentan-1-ol?
The InChIKey is RWNRASCAUPKNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c10-9(11,12)8(14)5-1-3-7(8)4-2-6-13/h7,14H,1-6,13H2.
What are the key properties of 2-(3-aminopropyl)-1-(trifluoromethyl)cyclopentan-1-ol?
2-(3-aminopropyl)-1-(trifluoromethyl)cyclopentan-1-ol has a molecular weight of 211.23 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-1-(trifluoromethyl)cyclopentan-1-ol is sourced from PubChem (CID 84734515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).