[1-methoxy-2-(trifluoromethyl)cyclopentyl]benzene

C13H15F3O — CID 174942326

IUPAC[1-methoxy-2-(trifluoromethyl)cyclopentyl]benzene
SMILESCOC1(c2ccccc2)CCCC1C(F)(F)F
InChIInChI=1S/C13H15F3O/c1-17-12(10-6-3-2-4-7-10)9-5-8-11(12)13(14,15)16/h2-4,6-7,11H,5,8-9H2,1H3
InChIKeyVHURQEXUVYAFBW-UHFFFAOYSA-N
MW244.26 g/mol
LogP3.89
Rot. Bonds2

About [1-methoxy-2-(trifluoromethyl)cyclopentyl]benzene

[1-methoxy-2-(trifluoromethyl)cyclopentyl]benzene (PubChem CID 174942326) has the molecular formula C13H15F3O and a molecular weight of 244.26 g/mol. Its IUPAC name is [1-methoxy-2-(trifluoromethyl)cyclopentyl]benzene.

Molecular Properties

Compound Name[1-methoxy-2-(trifluoromethyl)cyclopentyl]benzene
PubChem CID174942326
Molecular FormulaC13H15F3O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name[1-methoxy-2-(trifluoromethyl)cyclopentyl]benzene
SMILESCOC1(c2ccccc2)CCCC1C(F)(F)F
InChIInChI=1S/C13H15F3O/c1-17-12(10-6-3-2-4-7-10)9-5-8-11(12)13(14,15)16/h2-4,6-7,11H,5,8-9H2,1H3
InChIKeyVHURQEXUVYAFBW-UHFFFAOYSA-N
XLogP3.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [1-methoxy-2-(trifluoromethyl)cyclopentyl]benzene?
The IUPAC name of [1-methoxy-2-(trifluoromethyl)cyclopentyl]benzene (CID 174942326) is [1-methoxy-2-(trifluoromethyl)cyclopentyl]benzene.
What is the SMILES notation for [1-methoxy-2-(trifluoromethyl)cyclopentyl]benzene?
The canonical SMILES for [1-methoxy-2-(trifluoromethyl)cyclopentyl]benzene is COC1(c2ccccc2)CCCC1C(F)(F)F.
What is the InChIKey of [1-methoxy-2-(trifluoromethyl)cyclopentyl]benzene?
The InChIKey is VHURQEXUVYAFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O/c1-17-12(10-6-3-2-4-7-10)9-5-8-11(12)13(14,15)16/h2-4,6-7,11H,5,8-9H2,1H3.
What are the key properties of [1-methoxy-2-(trifluoromethyl)cyclopentyl]benzene?
[1-methoxy-2-(trifluoromethyl)cyclopentyl]benzene has a molecular weight of 244.26 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methoxy-2-(trifluoromethyl)cyclopentyl]benzene is sourced from PubChem (CID 174942326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).