(1,1,1-trifluoro-2-propoxypropan-2-yl)cyclopentane

C11H19F3O — CID 158526199

IUPAC(1,1,1-trifluoro-2-propoxypropan-2-yl)cyclopentane
SMILESCCCOC(C)(C1CCCC1)C(F)(F)F
InChIInChI=1S/C11H19F3O/c1-3-8-15-10(2,11(12,13)14)9-6-4-5-7-9/h9H,3-8H2,1-2H3
InChIKeyHMUUUXRTQBOFLB-UHFFFAOYSA-N
MW224.27 g/mol
LogP3.92
Rot. Bonds4

About (1,1,1-trifluoro-2-propoxypropan-2-yl)cyclopentane

(1,1,1-trifluoro-2-propoxypropan-2-yl)cyclopentane (PubChem CID 158526199) has the molecular formula C11H19F3O and a molecular weight of 224.27 g/mol. Its IUPAC name is (1,1,1-trifluoro-2-propoxypropan-2-yl)cyclopentane.

Molecular Properties

Compound Name(1,1,1-trifluoro-2-propoxypropan-2-yl)cyclopentane
PubChem CID158526199
Molecular FormulaC11H19F3O
Molecular Weight224.27 g/mol
Exact Mass224.14
IUPAC Name(1,1,1-trifluoro-2-propoxypropan-2-yl)cyclopentane
SMILESCCCOC(C)(C1CCCC1)C(F)(F)F
InChIInChI=1S/C11H19F3O/c1-3-8-15-10(2,11(12,13)14)9-6-4-5-7-9/h9H,3-8H2,1-2H3
InChIKeyHMUUUXRTQBOFLB-UHFFFAOYSA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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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Related Compounds

(6S)-2,6-dimethyl-6-(2,2,2-trifluoroethoxy)octane
CID 10752552
(1,1-Difluoro-2-methylpropoxy)methylcyclopentane
CID 58422627
1-Ethyl-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane
CID 58813248
3-[(1,1,1-Trifluoro-2-methylbutan-2-yl)oxymethyl]heptane
CID 59422989
1,1-Difluoropropoxymethylcyclopentane
CID 68233420
2,5-Dimethyl-3-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]hexane
CID 117672551
[1,1,1-Trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclopentane
CID 118217409
(2R)-5,5-difluoro-2-methyl-2-propan-2-yloxane
CID 121400526
(2S,4S,5R)-5-ethyl-3-fluoro-3-(fluoromethyl)-2,4-dimethyloxolane
CID 122450199
1-Ethoxy-4,4-difluoro-1-propan-2-ylcyclohexane
CID 122577384
1,1-Difluoro-3-(propan-2-yloxymethyl)cyclopentane
CID 123365421
1-(2,2-Difluoroethoxy)-3-ethylcyclopentane
CID 123719280

Frequently Asked Questions

What is the IUPAC name of (1,1,1-trifluoro-2-propoxypropan-2-yl)cyclopentane?
The IUPAC name of (1,1,1-trifluoro-2-propoxypropan-2-yl)cyclopentane (CID 158526199) is (1,1,1-trifluoro-2-propoxypropan-2-yl)cyclopentane.
What is the SMILES notation for (1,1,1-trifluoro-2-propoxypropan-2-yl)cyclopentane?
The canonical SMILES for (1,1,1-trifluoro-2-propoxypropan-2-yl)cyclopentane is CCCOC(C)(C1CCCC1)C(F)(F)F.
What is the InChIKey of (1,1,1-trifluoro-2-propoxypropan-2-yl)cyclopentane?
The InChIKey is HMUUUXRTQBOFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3O/c1-3-8-15-10(2,11(12,13)14)9-6-4-5-7-9/h9H,3-8H2,1-2H3.
What are the key properties of (1,1,1-trifluoro-2-propoxypropan-2-yl)cyclopentane?
(1,1,1-trifluoro-2-propoxypropan-2-yl)cyclopentane has a molecular weight of 224.27 g/mol, XLogP of 3.92, 4 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-propoxypropan-2-yl)cyclopentane is sourced from PubChem (CID 158526199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).