1-[1-(diethylamino)cyclopentyl]-4,4,4-trifluorobutan-1-ol

C13H24F3NO — CID 79070250

IUPAC1-[1-(diethylamino)cyclopentyl]-4,4,4-trifluorobutan-1-ol
SMILESCCN(CC)C1(C(O)CCC(F)(F)F)CCCC1
InChIInChI=1S/C13H24F3NO/c1-3-17(4-2)12(8-5-6-9-12)11(18)7-10-13(14,15)16/h11,18H,3-10H2,1-2H3
InChIKeyQKKQAFZJLZIYBQ-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.34
Rot. Bonds6

About 1-[1-(diethylamino)cyclopentyl]-4,4,4-trifluorobutan-1-ol

1-[1-(diethylamino)cyclopentyl]-4,4,4-trifluorobutan-1-ol (PubChem CID 79070250) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[1-(diethylamino)cyclopentyl]-4,4,4-trifluorobutan-1-ol.

Molecular Properties

Compound Name1-[1-(diethylamino)cyclopentyl]-4,4,4-trifluorobutan-1-ol
PubChem CID79070250
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name1-[1-(diethylamino)cyclopentyl]-4,4,4-trifluorobutan-1-ol
SMILESCCN(CC)C1(C(O)CCC(F)(F)F)CCCC1
InChIInChI=1S/C13H24F3NO/c1-3-17(4-2)12(8-5-6-9-12)11(18)7-10-13(14,15)16/h11,18H,3-10H2,1-2H3
InChIKeyQKKQAFZJLZIYBQ-UHFFFAOYSA-N
XLogP3.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(diethylamino)cyclopentyl]-4,4,4-trifluorobutan-1-ol?
The IUPAC name of 1-[1-(diethylamino)cyclopentyl]-4,4,4-trifluorobutan-1-ol (CID 79070250) is 1-[1-(diethylamino)cyclopentyl]-4,4,4-trifluorobutan-1-ol.
What is the SMILES notation for 1-[1-(diethylamino)cyclopentyl]-4,4,4-trifluorobutan-1-ol?
The canonical SMILES for 1-[1-(diethylamino)cyclopentyl]-4,4,4-trifluorobutan-1-ol is CCN(CC)C1(C(O)CCC(F)(F)F)CCCC1.
What is the InChIKey of 1-[1-(diethylamino)cyclopentyl]-4,4,4-trifluorobutan-1-ol?
The InChIKey is QKKQAFZJLZIYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-3-17(4-2)12(8-5-6-9-12)11(18)7-10-13(14,15)16/h11,18H,3-10H2,1-2H3.
What are the key properties of 1-[1-(diethylamino)cyclopentyl]-4,4,4-trifluorobutan-1-ol?
1-[1-(diethylamino)cyclopentyl]-4,4,4-trifluorobutan-1-ol has a molecular weight of 267.33 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(diethylamino)cyclopentyl]-4,4,4-trifluorobutan-1-ol is sourced from PubChem (CID 79070250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).