4,4,4-trifluoro-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-ol

C13H22F3NO — CID 79057691

IUPAC4,4,4-trifluoro-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-ol
SMILESOC(CCC(F)(F)F)C1(N2CCCC2)CCCC1
InChIInChI=1S/C13H22F3NO/c14-13(15,16)8-5-11(18)12(6-1-2-7-12)17-9-3-4-10-17/h11,18H,1-10H2
InChIKeyXKUIRLZPBTYHHH-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.10
Rot. Bonds4

About 4,4,4-trifluoro-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-ol

4,4,4-trifluoro-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-ol (PubChem CID 79057691) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-ol
PubChem CID79057691
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name4,4,4-trifluoro-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-ol
SMILESOC(CCC(F)(F)F)C1(N2CCCC2)CCCC1
InChIInChI=1S/C13H22F3NO/c14-13(15,16)8-5-11(18)12(6-1-2-7-12)17-9-3-4-10-17/h11,18H,1-10H2
InChIKeyXKUIRLZPBTYHHH-UHFFFAOYSA-N
XLogP3.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-ol?
The IUPAC name of 4,4,4-trifluoro-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-ol (CID 79057691) is 4,4,4-trifluoro-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-ol.
What is the SMILES notation for 4,4,4-trifluoro-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-ol?
The canonical SMILES for 4,4,4-trifluoro-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-ol is OC(CCC(F)(F)F)C1(N2CCCC2)CCCC1.
What is the InChIKey of 4,4,4-trifluoro-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-ol?
The InChIKey is XKUIRLZPBTYHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c14-13(15,16)8-5-11(18)12(6-1-2-7-12)17-9-3-4-10-17/h11,18H,1-10H2.
What are the key properties of 4,4,4-trifluoro-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-ol?
4,4,4-trifluoro-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-ol has a molecular weight of 265.32 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-ol is sourced from PubChem (CID 79057691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).