1-[(2,3-difluoro-4-propoxyphenoxy)-difluoromethyl]-4-ethoxy-2,3-difluorobenzene

C18H16F6O3 — CID 20576213

IUPAC1-[(2,3-difluoro-4-propoxyphenoxy)-difluoromethyl]-4-ethoxy-2,3-difluorobenzene
SMILESCCCOc1ccc(OC(F)(F)c2ccc(OCC)c(F)c2F)c(F)c1F
InChIInChI=1S/C18H16F6O3/c1-3-9-26-12-7-8-13(17(22)16(12)21)27-18(23,24)10-5-6-11(25-4-2)15(20)14(10)19/h5-8H,3-4,9H2,1-2H3
InChIKeyHSYAWIDDAVXHQW-UHFFFAOYSA-N
MW394.31 g/mol
LogP5.56
Rot. Bonds8

About 1-[(2,3-difluoro-4-propoxyphenoxy)-difluoromethyl]-4-ethoxy-2,3-difluorobenzene

1-[(2,3-difluoro-4-propoxyphenoxy)-difluoromethyl]-4-ethoxy-2,3-difluorobenzene (PubChem CID 20576213) has the molecular formula C18H16F6O3 and a molecular weight of 394.31 g/mol. Its IUPAC name is 1-[(2,3-difluoro-4-propoxyphenoxy)-difluoromethyl]-4-ethoxy-2,3-difluorobenzene.

Molecular Properties

Compound Name1-[(2,3-difluoro-4-propoxyphenoxy)-difluoromethyl]-4-ethoxy-2,3-difluorobenzene
PubChem CID20576213
Molecular FormulaC18H16F6O3
Molecular Weight394.31 g/mol
Exact Mass394.10
IUPAC Name1-[(2,3-difluoro-4-propoxyphenoxy)-difluoromethyl]-4-ethoxy-2,3-difluorobenzene
SMILESCCCOc1ccc(OC(F)(F)c2ccc(OCC)c(F)c2F)c(F)c1F
InChIInChI=1S/C18H16F6O3/c1-3-9-26-12-7-8-13(17(22)16(12)21)27-18(23,24)10-5-6-11(25-4-2)15(20)14(10)19/h5-8H,3-4,9H2,1-2H3
InChIKeyHSYAWIDDAVXHQW-UHFFFAOYSA-N
XLogP5.56
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.31
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-ethoxy-2,3-difluorophenyl)-difluoromethoxy]phenol
CID 145151828
5-(1,1-difluoropropyl)-2-[4-[(4-ethoxy-2,3-difluorophenyl)-difluoromethoxy]-2,3-difluorophenyl]-1,3-dioxane
CID 20576330
5-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]-2-propyl-3,4-dihydro-2H-pyran
CID 118359194
1-[difluoro-(3,4,5-trifluorophenoxy)methyl]-4-[7-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-2,3-difluorophenoxy]-4-methylheptoxy]-2,3-difluorobenzene
CID 122542614
1-[4-[(2,3-difluoro-4-methylphenyl)-difluoromethoxy]phenoxy]-13-[4-[(4-ethoxy-2,3-difluorophenyl)-difluoromethoxy]phenoxy]tridecan-7-one
CID 134273778
1-butoxy-2,3-difluoro-4-octoxybenzene;bis(2,3-difluoro-1-heptoxy-4-propoxybenzene);2,3-difluoro-1-methoxy-4-nonoxybenzene;2,3-difluoro-1-methoxy-4-octoxybenzene;1-ethoxy-2,3-difluoro-4-octoxybenzene
CID 158241991
1-ethoxy-2,3-difluoro-4-(2,2,2-trifluoroethoxy)benzene
CID 158664029
1-[difluoro-(4-methylcyclohexyl)oxymethyl]-4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-2,3-difluorobenzene
CID 143772822
1-ethoxy-2,3-difluoro-4-(3-fluoro-4-propoxyphenyl)benzene
CID 118191581
2,3-difluoro-1,4-dihexoxybenzene
CID 125465685
2-[difluoro-(2-fluoro-4-propylphenoxy)methyl]-7-ethoxy-1,8,9,10-tetrafluoro-9,10-dihydrophenanthrene
CID 88552495
1-butoxy-2,3-difluoro-4-(4-fluorobutoxy)benzene
CID 153282559

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-difluoro-4-propoxyphenoxy)-difluoromethyl]-4-ethoxy-2,3-difluorobenzene?
The IUPAC name of 1-[(2,3-difluoro-4-propoxyphenoxy)-difluoromethyl]-4-ethoxy-2,3-difluorobenzene (CID 20576213) is 1-[(2,3-difluoro-4-propoxyphenoxy)-difluoromethyl]-4-ethoxy-2,3-difluorobenzene.
What is the SMILES notation for 1-[(2,3-difluoro-4-propoxyphenoxy)-difluoromethyl]-4-ethoxy-2,3-difluorobenzene?
The canonical SMILES for 1-[(2,3-difluoro-4-propoxyphenoxy)-difluoromethyl]-4-ethoxy-2,3-difluorobenzene is CCCOc1ccc(OC(F)(F)c2ccc(OCC)c(F)c2F)c(F)c1F.
What is the InChIKey of 1-[(2,3-difluoro-4-propoxyphenoxy)-difluoromethyl]-4-ethoxy-2,3-difluorobenzene?
The InChIKey is HSYAWIDDAVXHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F6O3/c1-3-9-26-12-7-8-13(17(22)16(12)21)27-18(23,24)10-5-6-11(25-4-2)15(20)14(10)19/h5-8H,3-4,9H2,1-2H3.
What are the key properties of 1-[(2,3-difluoro-4-propoxyphenoxy)-difluoromethyl]-4-ethoxy-2,3-difluorobenzene?
1-[(2,3-difluoro-4-propoxyphenoxy)-difluoromethyl]-4-ethoxy-2,3-difluorobenzene has a molecular weight of 394.31 g/mol, XLogP of 5.56, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-difluoro-4-propoxyphenoxy)-difluoromethyl]-4-ethoxy-2,3-difluorobenzene is sourced from PubChem (CID 20576213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).