5-chloro-2-[[4-(3,4-difluorophenyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene

C19H9ClF6O — CID 58738372

IUPAC5-chloro-2-[[4-(3,4-difluorophenyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene
SMILESFc1ccc(-c2ccc(OC(F)(F)c3c(F)cc(Cl)cc3F)cc2)cc1F
InChIInChI=1S/C19H9ClF6O/c20-12-8-16(23)18(17(24)9-12)19(25,26)27-13-4-1-10(2-5-13)11-3-6-14(21)15(22)7-11/h1-9H
InChIKeyNSAJAWRVMZSLKU-UHFFFAOYSA-N
MW402.72 g/mol
LogP6.69
Rot. Bonds4

About 5-chloro-2-[[4-(3,4-difluorophenyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene

5-chloro-2-[[4-(3,4-difluorophenyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene (PubChem CID 58738372) has the molecular formula C19H9ClF6O and a molecular weight of 402.72 g/mol. Its IUPAC name is 5-chloro-2-[[4-(3,4-difluorophenyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene.

Molecular Properties

Compound Name5-chloro-2-[[4-(3,4-difluorophenyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene
PubChem CID58738372
Molecular FormulaC19H9ClF6O
Molecular Weight402.72 g/mol
Exact Mass402.02
IUPAC Name5-chloro-2-[[4-(3,4-difluorophenyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene
SMILESFc1ccc(-c2ccc(OC(F)(F)c3c(F)cc(Cl)cc3F)cc2)cc1F
InChIInChI=1S/C19H9ClF6O/c20-12-8-16(23)18(17(24)9-12)19(25,26)27-13-4-1-10(2-5-13)11-3-6-14(21)15(22)7-11/h1-9H
InChIKeyNSAJAWRVMZSLKU-UHFFFAOYSA-N
XLogP6.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.72
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-[(3,4-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]benzenethiol
CID 134374860
5-(4-chloro-2-fluorophenyl)-2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluorobenzene
CID 58738407
4-[4-[4-[difluoro-[4-(trifluoromethyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenol
CID 134241601
2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-methylbenzene
CID 21138534
5-bromo-2-[(4-bromophenoxy)-difluoromethyl]-1,3-difluorobenzene
CID 86677430
5-chloro-2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluorobenzene
CID 58738373
2-[4-[(3,4-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-(4-methylphenyl)pyridine
CID 145497031
2-[[4-[4-[[2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethoxy]phenyl]sulfonylphenoxy]-difluoromethyl]-1,3-difluoro-5-(4-methylphenyl)benzene
CID 143238943
2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluoro-5-(2-fluoro-4-methylphenyl)benzene
CID 20752077
2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-1,3-difluoro-5-[2-(4-prop-2-enoxyphenyl)ethynyl]benzene
CID 129037360
2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-5-(4-fluorophenyl)benzene
CID 58738459
2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
CID 134236074

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[4-(3,4-difluorophenyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene?
The IUPAC name of 5-chloro-2-[[4-(3,4-difluorophenyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene (CID 58738372) is 5-chloro-2-[[4-(3,4-difluorophenyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene.
What is the SMILES notation for 5-chloro-2-[[4-(3,4-difluorophenyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene?
The canonical SMILES for 5-chloro-2-[[4-(3,4-difluorophenyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene is Fc1ccc(-c2ccc(OC(F)(F)c3c(F)cc(Cl)cc3F)cc2)cc1F.
What is the InChIKey of 5-chloro-2-[[4-(3,4-difluorophenyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene?
The InChIKey is NSAJAWRVMZSLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9ClF6O/c20-12-8-16(23)18(17(24)9-12)19(25,26)27-13-4-1-10(2-5-13)11-3-6-14(21)15(22)7-11/h1-9H.
What are the key properties of 5-chloro-2-[[4-(3,4-difluorophenyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene?
5-chloro-2-[[4-(3,4-difluorophenyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene has a molecular weight of 402.72 g/mol, XLogP of 6.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[4-(3,4-difluorophenyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene is sourced from PubChem (CID 58738372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).