ethane;1-methyl-3-(trifluoromethoxy)cyclopentane

C9H17F3O — CID 178108421

IUPACethane;1-methyl-3-(trifluoromethoxy)cyclopentane
SMILESCC.CC1CCC(OC(F)(F)F)C1
InChIInChI=1S/C7H11F3O.C2H6/c1-5-2-3-6(4-5)11-7(8,9)10;1-2/h5-6H,2-4H2,1H3;1-2H3
InChIKeyLHWQZSMBOKCDBN-UHFFFAOYSA-N
MW198.23 g/mol
LogP3.74
Rot. Bonds1

About ethane;1-methyl-3-(trifluoromethoxy)cyclopentane

ethane;1-methyl-3-(trifluoromethoxy)cyclopentane (PubChem CID 178108421) has the molecular formula C9H17F3O and a molecular weight of 198.23 g/mol. Its IUPAC name is ethane;1-methyl-3-(trifluoromethoxy)cyclopentane.

Molecular Properties

Compound Nameethane;1-methyl-3-(trifluoromethoxy)cyclopentane
PubChem CID178108421
Molecular FormulaC9H17F3O
Molecular Weight198.23 g/mol
Exact Mass198.12
IUPAC Nameethane;1-methyl-3-(trifluoromethoxy)cyclopentane
SMILESCC.CC1CCC(OC(F)(F)F)C1
InChIInChI=1S/C7H11F3O.C2H6/c1-5-2-3-6(4-5)11-7(8,9)10;1-2/h5-6H,2-4H2,1H3;1-2H3
InChIKeyLHWQZSMBOKCDBN-UHFFFAOYSA-N
XLogP3.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3-(trifluoromethoxy)cyclopentane?
The IUPAC name of ethane;1-methyl-3-(trifluoromethoxy)cyclopentane (CID 178108421) is ethane;1-methyl-3-(trifluoromethoxy)cyclopentane.
What is the SMILES notation for ethane;1-methyl-3-(trifluoromethoxy)cyclopentane?
The canonical SMILES for ethane;1-methyl-3-(trifluoromethoxy)cyclopentane is CC.CC1CCC(OC(F)(F)F)C1.
What is the InChIKey of ethane;1-methyl-3-(trifluoromethoxy)cyclopentane?
The InChIKey is LHWQZSMBOKCDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O.C2H6/c1-5-2-3-6(4-5)11-7(8,9)10;1-2/h5-6H,2-4H2,1H3;1-2H3.
What are the key properties of ethane;1-methyl-3-(trifluoromethoxy)cyclopentane?
ethane;1-methyl-3-(trifluoromethoxy)cyclopentane has a molecular weight of 198.23 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3-(trifluoromethoxy)cyclopentane is sourced from PubChem (CID 178108421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).