1-ethyl-3-methoxy-2-(trifluoromethyl)cyclopentane

C9H15F3O — CID 173379726

IUPAC1-ethyl-3-methoxy-2-(trifluoromethyl)cyclopentane
SMILESCCC1CCC(OC)C1C(F)(F)F
InChIInChI=1S/C9H15F3O/c1-3-6-4-5-7(13-2)8(6)9(10,11)12/h6-8H,3-5H2,1-2H3
InChIKeyBEHAJMCDQVCCRG-UHFFFAOYSA-N
MW196.21 g/mol
LogP3.00
Rot. Bonds2

About 1-ethyl-3-methoxy-2-(trifluoromethyl)cyclopentane

1-ethyl-3-methoxy-2-(trifluoromethyl)cyclopentane (PubChem CID 173379726) has the molecular formula C9H15F3O and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-ethyl-3-methoxy-2-(trifluoromethyl)cyclopentane.

Molecular Properties

Compound Name1-ethyl-3-methoxy-2-(trifluoromethyl)cyclopentane
PubChem CID173379726
Molecular FormulaC9H15F3O
Molecular Weight196.21 g/mol
Exact Mass196.11
IUPAC Name1-ethyl-3-methoxy-2-(trifluoromethyl)cyclopentane
SMILESCCC1CCC(OC)C1C(F)(F)F
InChIInChI=1S/C9H15F3O/c1-3-6-4-5-7(13-2)8(6)9(10,11)12/h6-8H,3-5H2,1-2H3
InChIKeyBEHAJMCDQVCCRG-UHFFFAOYSA-N
XLogP3.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methoxy-2-(trifluoromethyl)cyclopentane?
The IUPAC name of 1-ethyl-3-methoxy-2-(trifluoromethyl)cyclopentane (CID 173379726) is 1-ethyl-3-methoxy-2-(trifluoromethyl)cyclopentane.
What is the SMILES notation for 1-ethyl-3-methoxy-2-(trifluoromethyl)cyclopentane?
The canonical SMILES for 1-ethyl-3-methoxy-2-(trifluoromethyl)cyclopentane is CCC1CCC(OC)C1C(F)(F)F.
What is the InChIKey of 1-ethyl-3-methoxy-2-(trifluoromethyl)cyclopentane?
The InChIKey is BEHAJMCDQVCCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3O/c1-3-6-4-5-7(13-2)8(6)9(10,11)12/h6-8H,3-5H2,1-2H3.
What are the key properties of 1-ethyl-3-methoxy-2-(trifluoromethyl)cyclopentane?
1-ethyl-3-methoxy-2-(trifluoromethyl)cyclopentane has a molecular weight of 196.21 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methoxy-2-(trifluoromethyl)cyclopentane is sourced from PubChem (CID 173379726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).