(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)cyclopentane

C11H19F3O — CID 159831447

IUPAC(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)cyclopentane
SMILESCC(C)OC(C)(C1CCCC1)C(F)(F)F
InChIInChI=1S/C11H19F3O/c1-8(2)15-10(3,11(12,13)14)9-6-4-5-7-9/h8-9H,4-7H2,1-3H3
InChIKeyNNMYTYXGBSETHO-UHFFFAOYSA-N
MW224.27 g/mol
LogP3.92
Rot. Bonds3

About (1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)cyclopentane

(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)cyclopentane (PubChem CID 159831447) has the molecular formula C11H19F3O and a molecular weight of 224.27 g/mol. Its IUPAC name is (1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)cyclopentane.

Molecular Properties

Compound Name(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)cyclopentane
PubChem CID159831447
Molecular FormulaC11H19F3O
Molecular Weight224.27 g/mol
Exact Mass224.14
IUPAC Name(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)cyclopentane
SMILESCC(C)OC(C)(C1CCCC1)C(F)(F)F
InChIInChI=1S/C11H19F3O/c1-8(2)15-10(3,11(12,13)14)9-6-4-5-7-9/h8-9H,4-7H2,1-3H3
InChIKeyNNMYTYXGBSETHO-UHFFFAOYSA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)cyclopentane?
The IUPAC name of (1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)cyclopentane (CID 159831447) is (1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)cyclopentane.
What is the SMILES notation for (1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)cyclopentane?
The canonical SMILES for (1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)cyclopentane is CC(C)OC(C)(C1CCCC1)C(F)(F)F.
What is the InChIKey of (1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)cyclopentane?
The InChIKey is NNMYTYXGBSETHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3O/c1-8(2)15-10(3,11(12,13)14)9-6-4-5-7-9/h8-9H,4-7H2,1-3H3.
What are the key properties of (1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)cyclopentane?
(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)cyclopentane has a molecular weight of 224.27 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)cyclopentane is sourced from PubChem (CID 159831447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).