2-propan-2-yl-5-[2-[3-(4,4,4-trifluoro-2-methylbutoxy)cyclopentyl]propyl]cyclopentan-1-ol

C21H37F3O2 — CID 155087090

IUPAC2-propan-2-yl-5-[2-[3-(4,4,4-trifluoro-2-methylbutoxy)cyclopentyl]propyl]cyclopentan-1-ol
SMILESCC(COC1CCC(C(C)CC2CCC(C(C)C)C2O)C1)CC(F)(F)F
InChIInChI=1S/C21H37F3O2/c1-13(2)19-8-6-17(20(19)25)9-15(4)16-5-7-18(10-16)26-12-14(3)11-21(22,23)24/h13-20,25H,5-12H2,1-4H3
InChIKeyWPQAEUFAOJXTNU-UHFFFAOYSA-N
MW378.52 g/mol
LogP5.83
Rot. Bonds8

About 2-propan-2-yl-5-[2-[3-(4,4,4-trifluoro-2-methylbutoxy)cyclopentyl]propyl]cyclopentan-1-ol

2-propan-2-yl-5-[2-[3-(4,4,4-trifluoro-2-methylbutoxy)cyclopentyl]propyl]cyclopentan-1-ol (PubChem CID 155087090) has the molecular formula C21H37F3O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-propan-2-yl-5-[2-[3-(4,4,4-trifluoro-2-methylbutoxy)cyclopentyl]propyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-propan-2-yl-5-[2-[3-(4,4,4-trifluoro-2-methylbutoxy)cyclopentyl]propyl]cyclopentan-1-ol
PubChem CID155087090
Molecular FormulaC21H37F3O2
Molecular Weight378.52 g/mol
Exact Mass378.27
IUPAC Name2-propan-2-yl-5-[2-[3-(4,4,4-trifluoro-2-methylbutoxy)cyclopentyl]propyl]cyclopentan-1-ol
SMILESCC(COC1CCC(C(C)CC2CCC(C(C)C)C2O)C1)CC(F)(F)F
InChIInChI=1S/C21H37F3O2/c1-13(2)19-8-6-17(20(19)25)9-15(4)16-5-7-18(10-16)26-12-14(3)11-21(22,23)24/h13-20,25H,5-12H2,1-4H3
InChIKeyWPQAEUFAOJXTNU-UHFFFAOYSA-N
XLogP5.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-[2-[3-(4,4,4-trifluoro-2-methylbutoxy)cyclopentyl]propyl]cyclopentan-1-ol?
The IUPAC name of 2-propan-2-yl-5-[2-[3-(4,4,4-trifluoro-2-methylbutoxy)cyclopentyl]propyl]cyclopentan-1-ol (CID 155087090) is 2-propan-2-yl-5-[2-[3-(4,4,4-trifluoro-2-methylbutoxy)cyclopentyl]propyl]cyclopentan-1-ol.
What is the SMILES notation for 2-propan-2-yl-5-[2-[3-(4,4,4-trifluoro-2-methylbutoxy)cyclopentyl]propyl]cyclopentan-1-ol?
The canonical SMILES for 2-propan-2-yl-5-[2-[3-(4,4,4-trifluoro-2-methylbutoxy)cyclopentyl]propyl]cyclopentan-1-ol is CC(COC1CCC(C(C)CC2CCC(C(C)C)C2O)C1)CC(F)(F)F.
What is the InChIKey of 2-propan-2-yl-5-[2-[3-(4,4,4-trifluoro-2-methylbutoxy)cyclopentyl]propyl]cyclopentan-1-ol?
The InChIKey is WPQAEUFAOJXTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37F3O2/c1-13(2)19-8-6-17(20(19)25)9-15(4)16-5-7-18(10-16)26-12-14(3)11-21(22,23)24/h13-20,25H,5-12H2,1-4H3.
What are the key properties of 2-propan-2-yl-5-[2-[3-(4,4,4-trifluoro-2-methylbutoxy)cyclopentyl]propyl]cyclopentan-1-ol?
2-propan-2-yl-5-[2-[3-(4,4,4-trifluoro-2-methylbutoxy)cyclopentyl]propyl]cyclopentan-1-ol has a molecular weight of 378.52 g/mol, XLogP of 5.83, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-[2-[3-(4,4,4-trifluoro-2-methylbutoxy)cyclopentyl]propyl]cyclopentan-1-ol is sourced from PubChem (CID 155087090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).