1-(1-ethylcyclobutyl)-4-[2-fluoro-5-(3-thiophen-2-ylpropyl)cyclopentyl]butan-1-ol

C22H35FOS — CID 91313168

IUPAC1-(1-ethylcyclobutyl)-4-[2-fluoro-5-(3-thiophen-2-ylpropyl)cyclopentyl]butan-1-ol
SMILESCCC1(C(O)CCCC2C(F)CCC2CCCc2cccs2)CCC1
InChIInChI=1S/C22H35FOS/c1-2-22(14-6-15-22)21(24)11-4-10-19-17(12-13-20(19)23)7-3-8-18-9-5-16-25-18/h5,9,16-17,19-21,24H,2-4,6-8,10-15H2,1H3
InChIKeyXQHCEYJAHIBPFI-UHFFFAOYSA-N
MW366.59 g/mol
LogP6.55
Rot. Bonds10

About 1-(1-ethylcyclobutyl)-4-[2-fluoro-5-(3-thiophen-2-ylpropyl)cyclopentyl]butan-1-ol

1-(1-ethylcyclobutyl)-4-[2-fluoro-5-(3-thiophen-2-ylpropyl)cyclopentyl]butan-1-ol (PubChem CID 91313168) has the molecular formula C22H35FOS and a molecular weight of 366.59 g/mol. Its IUPAC name is 1-(1-ethylcyclobutyl)-4-[2-fluoro-5-(3-thiophen-2-ylpropyl)cyclopentyl]butan-1-ol.

Molecular Properties

Compound Name1-(1-ethylcyclobutyl)-4-[2-fluoro-5-(3-thiophen-2-ylpropyl)cyclopentyl]butan-1-ol
PubChem CID91313168
Molecular FormulaC22H35FOS
Molecular Weight366.59 g/mol
Exact Mass366.24
IUPAC Name1-(1-ethylcyclobutyl)-4-[2-fluoro-5-(3-thiophen-2-ylpropyl)cyclopentyl]butan-1-ol
SMILESCCC1(C(O)CCCC2C(F)CCC2CCCc2cccs2)CCC1
InChIInChI=1S/C22H35FOS/c1-2-22(14-6-15-22)21(24)11-4-10-19-17(12-13-20(19)23)7-3-8-18-9-5-16-25-18/h5,9,16-17,19-21,24H,2-4,6-8,10-15H2,1H3
InChIKeyXQHCEYJAHIBPFI-UHFFFAOYSA-N
XLogP6.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.59
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylcyclobutyl)-4-[2-fluoro-5-(3-thiophen-2-ylpropyl)cyclopentyl]butan-1-ol?
The IUPAC name of 1-(1-ethylcyclobutyl)-4-[2-fluoro-5-(3-thiophen-2-ylpropyl)cyclopentyl]butan-1-ol (CID 91313168) is 1-(1-ethylcyclobutyl)-4-[2-fluoro-5-(3-thiophen-2-ylpropyl)cyclopentyl]butan-1-ol.
What is the SMILES notation for 1-(1-ethylcyclobutyl)-4-[2-fluoro-5-(3-thiophen-2-ylpropyl)cyclopentyl]butan-1-ol?
The canonical SMILES for 1-(1-ethylcyclobutyl)-4-[2-fluoro-5-(3-thiophen-2-ylpropyl)cyclopentyl]butan-1-ol is CCC1(C(O)CCCC2C(F)CCC2CCCc2cccs2)CCC1.
What is the InChIKey of 1-(1-ethylcyclobutyl)-4-[2-fluoro-5-(3-thiophen-2-ylpropyl)cyclopentyl]butan-1-ol?
The InChIKey is XQHCEYJAHIBPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35FOS/c1-2-22(14-6-15-22)21(24)11-4-10-19-17(12-13-20(19)23)7-3-8-18-9-5-16-25-18/h5,9,16-17,19-21,24H,2-4,6-8,10-15H2,1H3.
What are the key properties of 1-(1-ethylcyclobutyl)-4-[2-fluoro-5-(3-thiophen-2-ylpropyl)cyclopentyl]butan-1-ol?
1-(1-ethylcyclobutyl)-4-[2-fluoro-5-(3-thiophen-2-ylpropyl)cyclopentyl]butan-1-ol has a molecular weight of 366.59 g/mol, XLogP of 6.55, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylcyclobutyl)-4-[2-fluoro-5-(3-thiophen-2-ylpropyl)cyclopentyl]butan-1-ol is sourced from PubChem (CID 91313168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).