1-(difluoromethoxy)-3-ethyl-2,4-bis(trifluoromethyl)benzene

C11H8F8O — CID 135742735

IUPAC1-(difluoromethoxy)-3-ethyl-2,4-bis(trifluoromethyl)benzene
SMILESCCc1c(C(F)(F)F)ccc(OC(F)F)c1C(F)(F)F
InChIInChI=1S/C11H8F8O/c1-2-5-6(10(14,15)16)3-4-7(20-9(12)13)8(5)11(17,18)19/h3-4,9H,2H2,1H3
InChIKeyYKHOUBWXGGUJRG-UHFFFAOYSA-N
MW308.17 g/mol
LogP4.89
Rot. Bonds3

About 1-(difluoromethoxy)-3-ethyl-2,4-bis(trifluoromethyl)benzene

1-(difluoromethoxy)-3-ethyl-2,4-bis(trifluoromethyl)benzene (PubChem CID 135742735) has the molecular formula C11H8F8O and a molecular weight of 308.17 g/mol. Its IUPAC name is 1-(difluoromethoxy)-3-ethyl-2,4-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-3-ethyl-2,4-bis(trifluoromethyl)benzene
PubChem CID135742735
Molecular FormulaC11H8F8O
Molecular Weight308.17 g/mol
Exact Mass308.04
IUPAC Name1-(difluoromethoxy)-3-ethyl-2,4-bis(trifluoromethyl)benzene
SMILESCCc1c(C(F)(F)F)ccc(OC(F)F)c1C(F)(F)F
InChIInChI=1S/C11H8F8O/c1-2-5-6(10(14,15)16)3-4-7(20-9(12)13)8(5)11(17,18)19/h3-4,9H,2H2,1H3
InChIKeyYKHOUBWXGGUJRG-UHFFFAOYSA-N
XLogP4.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(difluoromethoxy)-4-ethyl-1-methyl-3-(trifluoromethyl)indole
CID 162007623
1-(bromomethyl)-3-ethyl-2,4-bis(trifluoromethyl)benzene
CID 135742793
1-(difluoromethoxy)-4-iodo-2,3-bis(trifluoromethyl)benzene
CID 134638325
2-(difluoromethoxy)-4-methoxy-1-(trifluoromethyl)benzene
CID 46311605
1-(difluoromethoxy)-2-ethyl-3,4-difluorobenzene
CID 131093585
1-(difluoromethoxy)-4-methyl-2-(trifluoromethyl)benzene
CID 118829512
1,2-dibromo-4-(difluoromethoxy)-3-(trifluoromethyl)benzene
CID 118837715
1-(difluoromethoxy)-3-methoxy-2-(trifluoromethyl)benzene
CID 46311607
3-chloro-1-(difluoromethoxy)-4-(trifluoromethoxy)-2-(trifluoromethyl)benzene
CID 171007850
2-(3-chloropropyl)-1-(difluoromethoxy)-3-(trifluoromethyl)benzene
CID 118819842
2,3-diethyl-4-(trifluoromethyl)phenol
CID 150673700
4-(difluoromethoxy)-3-(trifluoromethyl)benzonitrile
CID 115467817

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-3-ethyl-2,4-bis(trifluoromethyl)benzene?
The IUPAC name of 1-(difluoromethoxy)-3-ethyl-2,4-bis(trifluoromethyl)benzene (CID 135742735) is 1-(difluoromethoxy)-3-ethyl-2,4-bis(trifluoromethyl)benzene.
What is the SMILES notation for 1-(difluoromethoxy)-3-ethyl-2,4-bis(trifluoromethyl)benzene?
The canonical SMILES for 1-(difluoromethoxy)-3-ethyl-2,4-bis(trifluoromethyl)benzene is CCc1c(C(F)(F)F)ccc(OC(F)F)c1C(F)(F)F.
What is the InChIKey of 1-(difluoromethoxy)-3-ethyl-2,4-bis(trifluoromethyl)benzene?
The InChIKey is YKHOUBWXGGUJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F8O/c1-2-5-6(10(14,15)16)3-4-7(20-9(12)13)8(5)11(17,18)19/h3-4,9H,2H2,1H3.
What are the key properties of 1-(difluoromethoxy)-3-ethyl-2,4-bis(trifluoromethyl)benzene?
1-(difluoromethoxy)-3-ethyl-2,4-bis(trifluoromethyl)benzene has a molecular weight of 308.17 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-3-ethyl-2,4-bis(trifluoromethyl)benzene is sourced from PubChem (CID 135742735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).