3-cyclopentyl-1-methyl-1-(2,2,2-trifluoroethoxy)cyclopentane

C13H21F3O — CID 57272460

IUPAC3-cyclopentyl-1-methyl-1-(2,2,2-trifluoroethoxy)cyclopentane
SMILESCC1(OCC(F)(F)F)CCC(C2CCCC2)C1
InChIInChI=1S/C13H21F3O/c1-12(17-9-13(14,15)16)7-6-11(8-12)10-4-2-3-5-10/h10-11H,2-9H2,1H3
InChIKeyPGHNJDJINJWIAS-UHFFFAOYSA-N
MW250.30 g/mol
LogP4.31
Rot. Bonds3

About 3-cyclopentyl-1-methyl-1-(2,2,2-trifluoroethoxy)cyclopentane

3-cyclopentyl-1-methyl-1-(2,2,2-trifluoroethoxy)cyclopentane (PubChem CID 57272460) has the molecular formula C13H21F3O and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-cyclopentyl-1-methyl-1-(2,2,2-trifluoroethoxy)cyclopentane.

Molecular Properties

Compound Name3-cyclopentyl-1-methyl-1-(2,2,2-trifluoroethoxy)cyclopentane
PubChem CID57272460
Molecular FormulaC13H21F3O
Molecular Weight250.30 g/mol
Exact Mass250.15
IUPAC Name3-cyclopentyl-1-methyl-1-(2,2,2-trifluoroethoxy)cyclopentane
SMILESCC1(OCC(F)(F)F)CCC(C2CCCC2)C1
InChIInChI=1S/C13H21F3O/c1-12(17-9-13(14,15)16)7-6-11(8-12)10-4-2-3-5-10/h10-11H,2-9H2,1H3
InChIKeyPGHNJDJINJWIAS-UHFFFAOYSA-N
XLogP4.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1,1-Difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-octoxy-1-(trifluoromethyl)cyclopentane
CID 20781748
2-[2-Ethoxy-3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane
CID 57806667
5-(2-Ethoxy-3,3,3-trifluoro-2-methylpropyl)-2,3-dimethylbicyclo[2.2.1]heptane
CID 58205748
4-Ethyl-1-hexyl-2-(2,2,2-trifluoroethoxymethyl)cyclopentane
CID 58813219
(1R,3S,4S,7R)-1-ethyl-5,5-difluoro-3,7-dimethyl-2-oxabicyclo[2.2.1]heptane
CID 59638476
1-(2-Methylpentan-3-yl)-3-(trifluoromethoxy)cyclopentane
CID 132048634
2-[(1,1,1,3,3,3-Hexafluoro-2-methylpropan-2-yl)oxymethyl]bicyclo[2.2.1]heptane
CID 134374503
2-(2,2,2-Trifluoroethoxy)butan-2-ylcyclopentane
CID 157810504
4,4-Difluoro-9-methyl-6-oxaspiro[4.5]decane
CID 168891859
1,1-Difluoro-2-methoxy-2-[1-(3-methoxy-3-propan-2-ylcyclopentyl)propan-2-yl]cyclopentane
CID 170413601
1-Ethyl-3-[(2-methylpropan-2-yl)oxymethyl]-2-(trifluoromethyl)cyclopentane
CID 173379763
5-ethoxy-2,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pentalene
CID 117650276

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-methyl-1-(2,2,2-trifluoroethoxy)cyclopentane?
The IUPAC name of 3-cyclopentyl-1-methyl-1-(2,2,2-trifluoroethoxy)cyclopentane (CID 57272460) is 3-cyclopentyl-1-methyl-1-(2,2,2-trifluoroethoxy)cyclopentane.
What is the SMILES notation for 3-cyclopentyl-1-methyl-1-(2,2,2-trifluoroethoxy)cyclopentane?
The canonical SMILES for 3-cyclopentyl-1-methyl-1-(2,2,2-trifluoroethoxy)cyclopentane is CC1(OCC(F)(F)F)CCC(C2CCCC2)C1.
What is the InChIKey of 3-cyclopentyl-1-methyl-1-(2,2,2-trifluoroethoxy)cyclopentane?
The InChIKey is PGHNJDJINJWIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3O/c1-12(17-9-13(14,15)16)7-6-11(8-12)10-4-2-3-5-10/h10-11H,2-9H2,1H3.
What are the key properties of 3-cyclopentyl-1-methyl-1-(2,2,2-trifluoroethoxy)cyclopentane?
3-cyclopentyl-1-methyl-1-(2,2,2-trifluoroethoxy)cyclopentane has a molecular weight of 250.30 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-methyl-1-(2,2,2-trifluoroethoxy)cyclopentane is sourced from PubChem (CID 57272460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).