ethane;1-(ethoxymethyl)-2,3,5-trifluorobenzene

C11H15F3O — CID 168922345

IUPACethane;1-(ethoxymethyl)-2,3,5-trifluorobenzene
SMILESCC.CCOCc1cc(F)cc(F)c1F
InChIInChI=1S/C9H9F3O.C2H6/c1-2-13-5-6-3-7(10)4-8(11)9(6)12;1-2/h3-4H,2,5H2,1H3;1-2H3
InChIKeyCFPZXKKPZXNPFS-UHFFFAOYSA-N
MW220.23 g/mol
LogP3.67
Rot. Bonds3

About ethane;1-(ethoxymethyl)-2,3,5-trifluorobenzene

ethane;1-(ethoxymethyl)-2,3,5-trifluorobenzene (PubChem CID 168922345) has the molecular formula C11H15F3O and a molecular weight of 220.23 g/mol. Its IUPAC name is ethane;1-(ethoxymethyl)-2,3,5-trifluorobenzene.

Molecular Properties

Compound Nameethane;1-(ethoxymethyl)-2,3,5-trifluorobenzene
PubChem CID168922345
Molecular FormulaC11H15F3O
Molecular Weight220.23 g/mol
Exact Mass220.11
IUPAC Nameethane;1-(ethoxymethyl)-2,3,5-trifluorobenzene
SMILESCC.CCOCc1cc(F)cc(F)c1F
InChIInChI=1S/C9H9F3O.C2H6/c1-2-13-5-6-3-7(10)4-8(11)9(6)12;1-2/h3-4H,2,5H2,1H3;1-2H3
InChIKeyCFPZXKKPZXNPFS-UHFFFAOYSA-N
XLogP3.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2,3,5-trifluorophenyl)methanethiol
CID 118589493
2-methyl-1-(2,3,5-trifluorophenyl)propan-2-amine
CID 117112050
N-[(2-bromo-5-fluorophenyl)methyl]-1-[2-(ethoxymethyl)phenyl]methanamine
CID 60924648
3,4-bis(ethoxymethyl)phenol
CID 175162905
1,2,5-trifluoro-3-(nitrosomethyl)benzene
CID 91173927
N-[[2-(ethoxymethyl)phenyl]methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 62121813
2-ethoxy-1-(2,4,6-trifluorophenyl)ethanone
CID 115782948
(5-ethyl-2,3-difluorophenyl)methanol
CID 117276930
(2,3,5-trifluorophenyl)methyl 3-[(Z)-2-cyanoethenyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 175922059
methyl 2-bromo-3-(2,3,5-trifluorophenyl)propanoate
CID 62812084
2-[(2,3,5-trifluorophenyl)methyl]butanamide
CID 174865595
2-(bromomethyl)-1,5-difluoro-3-methoxybenzene
CID 130786949

Frequently Asked Questions

What is the IUPAC name of ethane;1-(ethoxymethyl)-2,3,5-trifluorobenzene?
The IUPAC name of ethane;1-(ethoxymethyl)-2,3,5-trifluorobenzene (CID 168922345) is ethane;1-(ethoxymethyl)-2,3,5-trifluorobenzene.
What is the SMILES notation for ethane;1-(ethoxymethyl)-2,3,5-trifluorobenzene?
The canonical SMILES for ethane;1-(ethoxymethyl)-2,3,5-trifluorobenzene is CC.CCOCc1cc(F)cc(F)c1F.
What is the InChIKey of ethane;1-(ethoxymethyl)-2,3,5-trifluorobenzene?
The InChIKey is CFPZXKKPZXNPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O.C2H6/c1-2-13-5-6-3-7(10)4-8(11)9(6)12;1-2/h3-4H,2,5H2,1H3;1-2H3.
What are the key properties of ethane;1-(ethoxymethyl)-2,3,5-trifluorobenzene?
ethane;1-(ethoxymethyl)-2,3,5-trifluorobenzene has a molecular weight of 220.23 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(ethoxymethyl)-2,3,5-trifluorobenzene is sourced from PubChem (CID 168922345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).