[3-cyclopentyl-2-methyl-3-(trifluoromethoxy)propyl]cyclohexane

C16H27F3O — CID 59061002

IUPAC[3-cyclopentyl-2-methyl-3-(trifluoromethoxy)propyl]cyclohexane
SMILESCC(CC1CCCCC1)C(OC(F)(F)F)C1CCCC1
InChIInChI=1S/C16H27F3O/c1-12(11-13-7-3-2-4-8-13)15(20-16(17,18)19)14-9-5-6-10-14/h12-15H,2-11H2,1H3
InChIKeyQQHBTPFXJYOBQG-UHFFFAOYSA-N
MW292.38 g/mol
LogP5.69
Rot. Bonds5

About [3-cyclopentyl-2-methyl-3-(trifluoromethoxy)propyl]cyclohexane

[3-cyclopentyl-2-methyl-3-(trifluoromethoxy)propyl]cyclohexane (PubChem CID 59061002) has the molecular formula C16H27F3O and a molecular weight of 292.38 g/mol. Its IUPAC name is [3-cyclopentyl-2-methyl-3-(trifluoromethoxy)propyl]cyclohexane.

Molecular Properties

Compound Name[3-cyclopentyl-2-methyl-3-(trifluoromethoxy)propyl]cyclohexane
PubChem CID59061002
Molecular FormulaC16H27F3O
Molecular Weight292.38 g/mol
Exact Mass292.20
IUPAC Name[3-cyclopentyl-2-methyl-3-(trifluoromethoxy)propyl]cyclohexane
SMILESCC(CC1CCCCC1)C(OC(F)(F)F)C1CCCC1
InChIInChI=1S/C16H27F3O/c1-12(11-13-7-3-2-4-8-13)15(20-16(17,18)19)14-9-5-6-10-14/h12-15H,2-11H2,1H3
InChIKeyQQHBTPFXJYOBQG-UHFFFAOYSA-N
XLogP5.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.38
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [3-cyclopentyl-2-methyl-3-(trifluoromethoxy)propyl]cyclohexane?
The IUPAC name of [3-cyclopentyl-2-methyl-3-(trifluoromethoxy)propyl]cyclohexane (CID 59061002) is [3-cyclopentyl-2-methyl-3-(trifluoromethoxy)propyl]cyclohexane.
What is the SMILES notation for [3-cyclopentyl-2-methyl-3-(trifluoromethoxy)propyl]cyclohexane?
The canonical SMILES for [3-cyclopentyl-2-methyl-3-(trifluoromethoxy)propyl]cyclohexane is CC(CC1CCCCC1)C(OC(F)(F)F)C1CCCC1.
What is the InChIKey of [3-cyclopentyl-2-methyl-3-(trifluoromethoxy)propyl]cyclohexane?
The InChIKey is QQHBTPFXJYOBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F3O/c1-12(11-13-7-3-2-4-8-13)15(20-16(17,18)19)14-9-5-6-10-14/h12-15H,2-11H2,1H3.
What are the key properties of [3-cyclopentyl-2-methyl-3-(trifluoromethoxy)propyl]cyclohexane?
[3-cyclopentyl-2-methyl-3-(trifluoromethoxy)propyl]cyclohexane has a molecular weight of 292.38 g/mol, XLogP of 5.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-cyclopentyl-2-methyl-3-(trifluoromethoxy)propyl]cyclohexane is sourced from PubChem (CID 59061002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).