5-ethyl-1,3-difluoro-2-(trifluoromethoxy)benzene

C9H7F5O — CID 56617585

IUPAC5-ethyl-1,3-difluoro-2-(trifluoromethoxy)benzene
SMILESCCc1cc(F)c(OC(F)(F)F)c(F)c1
InChIInChI=1S/C9H7F5O/c1-2-5-3-6(10)8(7(11)4-5)15-9(12,13)14/h3-4H,2H2,1H3
InChIKeyTXUOEUDLSBJOSU-UHFFFAOYSA-N
MW226.14 g/mol
LogP3.43
Rot. Bonds2

About 5-ethyl-1,3-difluoro-2-(trifluoromethoxy)benzene

5-ethyl-1,3-difluoro-2-(trifluoromethoxy)benzene (PubChem CID 56617585) has the molecular formula C9H7F5O and a molecular weight of 226.14 g/mol. Its IUPAC name is 5-ethyl-1,3-difluoro-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name5-ethyl-1,3-difluoro-2-(trifluoromethoxy)benzene
PubChem CID56617585
Molecular FormulaC9H7F5O
Molecular Weight226.14 g/mol
Exact Mass226.04
IUPAC Name5-ethyl-1,3-difluoro-2-(trifluoromethoxy)benzene
SMILESCCc1cc(F)c(OC(F)(F)F)c(F)c1
InChIInChI=1S/C9H7F5O/c1-2-5-3-6(10)8(7(11)4-5)15-9(12,13)14/h3-4H,2H2,1H3
InChIKeyTXUOEUDLSBJOSU-UHFFFAOYSA-N
XLogP3.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.14
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethyl 3,5-difluoro-4-(trifluoromethoxy)benzoate
CID 171065916
2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-6-ethylnaphthalene
CID 58598898
5-ethyl-3-fluoro-2-methoxyphenol
CID 84653744
ethane;4-ethyl-1-fluoro-2-(trifluoromethoxy)benzene
CID 143588899
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CID 67588690
1-(5-ethyl-3-fluoro-2-methoxyphenyl)ethanol
CID 84668298
2-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-1,3-difluoro-5-pent-1-enylbenzene
CID 54454502
7-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3-(4-ethyl-2-fluorophenyl)-8-fluoro-1,2-dihydronaphthalene
CID 139960554
1-chloro-3-ethyl-5-(trifluoromethoxy)benzene;ethane
CID 143344817
3,5-difluoro-4-(trifluoromethoxy)benzoic acid
CID 56973642
7-bromo-5-ethyl-2-methyl-3-(trifluoromethoxy)-1-benzothiophene
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CID 139884229

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,3-difluoro-2-(trifluoromethoxy)benzene?
The IUPAC name of 5-ethyl-1,3-difluoro-2-(trifluoromethoxy)benzene (CID 56617585) is 5-ethyl-1,3-difluoro-2-(trifluoromethoxy)benzene.
What is the SMILES notation for 5-ethyl-1,3-difluoro-2-(trifluoromethoxy)benzene?
The canonical SMILES for 5-ethyl-1,3-difluoro-2-(trifluoromethoxy)benzene is CCc1cc(F)c(OC(F)(F)F)c(F)c1.
What is the InChIKey of 5-ethyl-1,3-difluoro-2-(trifluoromethoxy)benzene?
The InChIKey is TXUOEUDLSBJOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F5O/c1-2-5-3-6(10)8(7(11)4-5)15-9(12,13)14/h3-4H,2H2,1H3.
What are the key properties of 5-ethyl-1,3-difluoro-2-(trifluoromethoxy)benzene?
5-ethyl-1,3-difluoro-2-(trifluoromethoxy)benzene has a molecular weight of 226.14 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,3-difluoro-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 56617585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).