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

C13H22F3NO2 — CID 79060223

IUPAC4,4,4-trifluoro-1-(1-morpholin-4-ylcyclopentyl)butan-1-ol
SMILESOC(CCC(F)(F)F)C1(N2CCOCC2)CCCC1
InChIInChI=1S/C13H22F3NO2/c14-13(15,16)6-3-11(18)12(4-1-2-5-12)17-7-9-19-10-8-17/h11,18H,1-10H2
InChIKeyYXMCXDANKJMITM-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.33
Rot. Bonds4

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

4,4,4-trifluoro-1-(1-morpholin-4-ylcyclopentyl)butan-1-ol (PubChem CID 79060223) has the molecular formula C13H22F3NO2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(1-morpholin-4-ylcyclopentyl)butan-1-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(1-morpholin-4-ylcyclopentyl)butan-1-ol
PubChem CID79060223
Molecular FormulaC13H22F3NO2
Molecular Weight281.32 g/mol
Exact Mass281.16
IUPAC Name4,4,4-trifluoro-1-(1-morpholin-4-ylcyclopentyl)butan-1-ol
SMILESOC(CCC(F)(F)F)C1(N2CCOCC2)CCCC1
InChIInChI=1S/C13H22F3NO2/c14-13(15,16)6-3-11(18)12(4-1-2-5-12)17-7-9-19-10-8-17/h11,18H,1-10H2
InChIKeyYXMCXDANKJMITM-UHFFFAOYSA-N
XLogP2.33
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(1-morpholin-4-ylcyclopentyl)butan-1-ol?
The IUPAC name of 4,4,4-trifluoro-1-(1-morpholin-4-ylcyclopentyl)butan-1-ol (CID 79060223) is 4,4,4-trifluoro-1-(1-morpholin-4-ylcyclopentyl)butan-1-ol.
What is the SMILES notation for 4,4,4-trifluoro-1-(1-morpholin-4-ylcyclopentyl)butan-1-ol?
The canonical SMILES for 4,4,4-trifluoro-1-(1-morpholin-4-ylcyclopentyl)butan-1-ol is OC(CCC(F)(F)F)C1(N2CCOCC2)CCCC1.
What is the InChIKey of 4,4,4-trifluoro-1-(1-morpholin-4-ylcyclopentyl)butan-1-ol?
The InChIKey is YXMCXDANKJMITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO2/c14-13(15,16)6-3-11(18)12(4-1-2-5-12)17-7-9-19-10-8-17/h11,18H,1-10H2.
What are the key properties of 4,4,4-trifluoro-1-(1-morpholin-4-ylcyclopentyl)butan-1-ol?
4,4,4-trifluoro-1-(1-morpholin-4-ylcyclopentyl)butan-1-ol has a molecular weight of 281.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(1-morpholin-4-ylcyclopentyl)butan-1-ol is sourced from PubChem (CID 79060223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).