[1-(5,5,5-trifluoropentyl)pyrrolidin-3-yl]methanol

C10H18F3NO — CID 115486642

IUPAC[1-(5,5,5-trifluoropentyl)pyrrolidin-3-yl]methanol
SMILESOCC1CCN(CCCCC(F)(F)F)C1
InChIInChI=1S/C10H18F3NO/c11-10(12,13)4-1-2-5-14-6-3-9(7-14)8-15/h9,15H,1-8H2
InChIKeyJOQDSNIBDRZXBC-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.03
Rot. Bonds5

About [1-(5,5,5-trifluoropentyl)pyrrolidin-3-yl]methanol

[1-(5,5,5-trifluoropentyl)pyrrolidin-3-yl]methanol (PubChem CID 115486642) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is [1-(5,5,5-trifluoropentyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(5,5,5-trifluoropentyl)pyrrolidin-3-yl]methanol
PubChem CID115486642
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name[1-(5,5,5-trifluoropentyl)pyrrolidin-3-yl]methanol
SMILESOCC1CCN(CCCCC(F)(F)F)C1
InChIInChI=1S/C10H18F3NO/c11-10(12,13)4-1-2-5-14-6-3-9(7-14)8-15/h9,15H,1-8H2
InChIKeyJOQDSNIBDRZXBC-UHFFFAOYSA-N
XLogP2.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(5,5,5-trifluoropentyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(5,5,5-trifluoropentyl)pyrrolidin-3-yl]methanol (CID 115486642) is [1-(5,5,5-trifluoropentyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(5,5,5-trifluoropentyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(5,5,5-trifluoropentyl)pyrrolidin-3-yl]methanol is OCC1CCN(CCCCC(F)(F)F)C1.
What is the InChIKey of [1-(5,5,5-trifluoropentyl)pyrrolidin-3-yl]methanol?
The InChIKey is JOQDSNIBDRZXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c11-10(12,13)4-1-2-5-14-6-3-9(7-14)8-15/h9,15H,1-8H2.
What are the key properties of [1-(5,5,5-trifluoropentyl)pyrrolidin-3-yl]methanol?
[1-(5,5,5-trifluoropentyl)pyrrolidin-3-yl]methanol has a molecular weight of 225.25 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5,5,5-trifluoropentyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 115486642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).