1-[(3,3-difluorocyclopentyl)methoxy]-2-fluoro-3-methylbenzene

C13H15F3O — CID 114225343

IUPAC1-[(3,3-difluorocyclopentyl)methoxy]-2-fluoro-3-methylbenzene
SMILESCc1cccc(OCC2CCC(F)(F)C2)c1F
InChIInChI=1S/C13H15F3O/c1-9-3-2-4-11(12(9)14)17-8-10-5-6-13(15,16)7-10/h2-4,10H,5-8H2,1H3
InChIKeyPFCFMLGDJBMJLA-UHFFFAOYSA-N
MW244.26 g/mol
LogP3.95
Rot. Bonds3

About 1-[(3,3-difluorocyclopentyl)methoxy]-2-fluoro-3-methylbenzene

1-[(3,3-difluorocyclopentyl)methoxy]-2-fluoro-3-methylbenzene (PubChem CID 114225343) has the molecular formula C13H15F3O and a molecular weight of 244.26 g/mol. Its IUPAC name is 1-[(3,3-difluorocyclopentyl)methoxy]-2-fluoro-3-methylbenzene.

Molecular Properties

Compound Name1-[(3,3-difluorocyclopentyl)methoxy]-2-fluoro-3-methylbenzene
PubChem CID114225343
Molecular FormulaC13H15F3O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name1-[(3,3-difluorocyclopentyl)methoxy]-2-fluoro-3-methylbenzene
SMILESCc1cccc(OCC2CCC(F)(F)C2)c1F
InChIInChI=1S/C13H15F3O/c1-9-3-2-4-11(12(9)14)17-8-10-5-6-13(15,16)7-10/h2-4,10H,5-8H2,1H3
InChIKeyPFCFMLGDJBMJLA-UHFFFAOYSA-N
XLogP3.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-difluorocyclopentyl)methoxy]-2-fluoro-3-methylbenzene?
The IUPAC name of 1-[(3,3-difluorocyclopentyl)methoxy]-2-fluoro-3-methylbenzene (CID 114225343) is 1-[(3,3-difluorocyclopentyl)methoxy]-2-fluoro-3-methylbenzene.
What is the SMILES notation for 1-[(3,3-difluorocyclopentyl)methoxy]-2-fluoro-3-methylbenzene?
The canonical SMILES for 1-[(3,3-difluorocyclopentyl)methoxy]-2-fluoro-3-methylbenzene is Cc1cccc(OCC2CCC(F)(F)C2)c1F.
What is the InChIKey of 1-[(3,3-difluorocyclopentyl)methoxy]-2-fluoro-3-methylbenzene?
The InChIKey is PFCFMLGDJBMJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O/c1-9-3-2-4-11(12(9)14)17-8-10-5-6-13(15,16)7-10/h2-4,10H,5-8H2,1H3.
What are the key properties of 1-[(3,3-difluorocyclopentyl)methoxy]-2-fluoro-3-methylbenzene?
1-[(3,3-difluorocyclopentyl)methoxy]-2-fluoro-3-methylbenzene has a molecular weight of 244.26 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-difluorocyclopentyl)methoxy]-2-fluoro-3-methylbenzene is sourced from PubChem (CID 114225343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).