1-methoxy-1-(trifluoromethyl)cyclopentane

C7H11F3O — CID 156806401

IUPAC1-methoxy-1-(trifluoromethyl)cyclopentane
SMILESCOC1(C(F)(F)F)CCCC1
InChIInChI=1S/C7H11F3O/c1-11-6(7(8,9)10)4-2-3-5-6/h2-5H2,1H3
InChIKeyXBOCEHJLJYHECT-UHFFFAOYSA-N
MW168.16 g/mol
LogP2.51
Rot. Bonds1

About 1-methoxy-1-(trifluoromethyl)cyclopentane

1-methoxy-1-(trifluoromethyl)cyclopentane (PubChem CID 156806401) has the molecular formula C7H11F3O and a molecular weight of 168.16 g/mol. Its IUPAC name is 1-methoxy-1-(trifluoromethyl)cyclopentane.

Molecular Properties

Compound Name1-methoxy-1-(trifluoromethyl)cyclopentane
PubChem CID156806401
Molecular FormulaC7H11F3O
Molecular Weight168.16 g/mol
Exact Mass168.08
IUPAC Name1-methoxy-1-(trifluoromethyl)cyclopentane
SMILESCOC1(C(F)(F)F)CCCC1
InChIInChI=1S/C7H11F3O/c1-11-6(7(8,9)10)4-2-3-5-6/h2-5H2,1H3
InChIKeyXBOCEHJLJYHECT-UHFFFAOYSA-N
XLogP2.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methoxy-1-(trifluoromethyl)cyclopentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[Difluoro(methoxy)methyl]cyclopentane
CID 20698411
1,1,2,2,3,3,4,4-Octafluoro-5-methoxy-5-methylcyclopentane
CID 58731935
1-[Difluoro(methoxy)methyl]-3-fluorocyclopentane
CID 59956178
2-Ethyl-2-(trifluoromethyl)oxolane
CID 67887491
1-(Difluoromethoxy)-1-ethylcyclopentane
CID 69024555
1-Propan-2-yloxy-1-(trifluoromethyl)cyclopentane
CID 155380256
1,1,2,2,3,3,4,4-Octafluoro-5-methoxy-5-(trifluoromethyl)cyclopentane
CID 156806364
[Difluoro(methoxy)methyl]cyclopentane;hydrofluoride
CID 157062709
1,1,1-Trifluoro-2-methoxy-2-methylhexane
CID 160964134
1-Methyl-3-(trifluoromethoxy)cyclopentane
CID 162564153
1-Ethoxy-1-(trifluoromethyl)cyclopentane
CID 164600656
1-(Difluoromethoxy)-3-methylcyclopentane
CID 168250662

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1-(trifluoromethyl)cyclopentane?
The IUPAC name of 1-methoxy-1-(trifluoromethyl)cyclopentane (CID 156806401) is 1-methoxy-1-(trifluoromethyl)cyclopentane.
What is the SMILES notation for 1-methoxy-1-(trifluoromethyl)cyclopentane?
The canonical SMILES for 1-methoxy-1-(trifluoromethyl)cyclopentane is COC1(C(F)(F)F)CCCC1.
What is the InChIKey of 1-methoxy-1-(trifluoromethyl)cyclopentane?
The InChIKey is XBOCEHJLJYHECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O/c1-11-6(7(8,9)10)4-2-3-5-6/h2-5H2,1H3.
What are the key properties of 1-methoxy-1-(trifluoromethyl)cyclopentane?
1-methoxy-1-(trifluoromethyl)cyclopentane has a molecular weight of 168.16 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1-(trifluoromethyl)cyclopentane is sourced from PubChem (CID 156806401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).