2-[difluoro(trifluoromethoxy)methyl]-1,3-difluoro-5-[2-(4-propylphenyl)ethyl]benzene

C19H17F7O — CID 90179530

IUPAC2-[difluoro(trifluoromethoxy)methyl]-1,3-difluoro-5-[2-(4-propylphenyl)ethyl]benzene
SMILESCCCc1ccc(CCc2cc(F)c(C(F)(F)OC(F)(F)F)c(F)c2)cc1
InChIInChI=1S/C19H17F7O/c1-2-3-12-4-6-13(7-5-12)8-9-14-10-15(20)17(16(21)11-14)18(22,23)27-19(24,25)26/h4-7,10-11H,2-3,8-9H2,1H3
InChIKeyFEGTWSXJZKPGRJ-UHFFFAOYSA-N
MW394.33 g/mol
LogP6.29
Rot. Bonds7

About 2-[difluoro(trifluoromethoxy)methyl]-1,3-difluoro-5-[2-(4-propylphenyl)ethyl]benzene

2-[difluoro(trifluoromethoxy)methyl]-1,3-difluoro-5-[2-(4-propylphenyl)ethyl]benzene (PubChem CID 90179530) has the molecular formula C19H17F7O and a molecular weight of 394.33 g/mol. Its IUPAC name is 2-[difluoro(trifluoromethoxy)methyl]-1,3-difluoro-5-[2-(4-propylphenyl)ethyl]benzene.

Molecular Properties

Compound Name2-[difluoro(trifluoromethoxy)methyl]-1,3-difluoro-5-[2-(4-propylphenyl)ethyl]benzene
PubChem CID90179530
Molecular FormulaC19H17F7O
Molecular Weight394.33 g/mol
Exact Mass394.12
IUPAC Name2-[difluoro(trifluoromethoxy)methyl]-1,3-difluoro-5-[2-(4-propylphenyl)ethyl]benzene
SMILESCCCc1ccc(CCc2cc(F)c(C(F)(F)OC(F)(F)F)c(F)c2)cc1
InChIInChI=1S/C19H17F7O/c1-2-3-12-4-6-13(7-5-12)8-9-14-10-15(20)17(16(21)11-14)18(22,23)27-19(24,25)26/h4-7,10-11H,2-3,8-9H2,1H3
InChIKeyFEGTWSXJZKPGRJ-UHFFFAOYSA-N
XLogP6.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.33
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[difluoro(trifluoromethoxy)methyl]-1,3-difluoro-5-(4-propylphenyl)benzene
CID 90179440
2-[difluoro(methoxy)methyl]-1,3-difluoro-5-propylbenzene
CID 20705700
2-[4-[4-[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-6-propylnaphthalene
CID 90179625
5-[[4-[difluoro-[4-(4-propylphenyl)phenyl]methoxy]phenyl]-difluoromethoxy]-2-[difluoro(trifluoromethoxy)methyl]-1,3-difluorobenzene
CID 90180015
2-[4-[[4-[[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-6-propylnaphthalene
CID 90180205
5-[difluoro-[4-(4-propylphenyl)phenyl]methoxy]-2-[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenyl]-1,3-difluorobenzene
CID 90180290
2-[4-[[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenoxy]-difluoromethyl]phenyl]-6-propylnaphthalene
CID 90180260
5-[difluoro-[2-fluoro-4-[4-(4-propylphenyl)phenyl]phenyl]methoxy]-2-[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenyl]-1,3-difluorobenzene
CID 90180139
2-[2-[4-[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethyl]-1,3-difluoro-5-[4-[(E)-pent-3-enyl]phenyl]benzene
CID 90180081
2-[2-[3,5-difluoro-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]ethyl]-1,3-difluoro-5-propylbenzene
CID 139758592
2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-propylphenyl)benzene
CID 20654145
2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-(4-propylphenyl)ethyl]benzene
CID 18513408

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro(trifluoromethoxy)methyl]-1,3-difluoro-5-[2-(4-propylphenyl)ethyl]benzene?
The IUPAC name of 2-[difluoro(trifluoromethoxy)methyl]-1,3-difluoro-5-[2-(4-propylphenyl)ethyl]benzene (CID 90179530) is 2-[difluoro(trifluoromethoxy)methyl]-1,3-difluoro-5-[2-(4-propylphenyl)ethyl]benzene.
What is the SMILES notation for 2-[difluoro(trifluoromethoxy)methyl]-1,3-difluoro-5-[2-(4-propylphenyl)ethyl]benzene?
The canonical SMILES for 2-[difluoro(trifluoromethoxy)methyl]-1,3-difluoro-5-[2-(4-propylphenyl)ethyl]benzene is CCCc1ccc(CCc2cc(F)c(C(F)(F)OC(F)(F)F)c(F)c2)cc1.
What is the InChIKey of 2-[difluoro(trifluoromethoxy)methyl]-1,3-difluoro-5-[2-(4-propylphenyl)ethyl]benzene?
The InChIKey is FEGTWSXJZKPGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F7O/c1-2-3-12-4-6-13(7-5-12)8-9-14-10-15(20)17(16(21)11-14)18(22,23)27-19(24,25)26/h4-7,10-11H,2-3,8-9H2,1H3.
What are the key properties of 2-[difluoro(trifluoromethoxy)methyl]-1,3-difluoro-5-[2-(4-propylphenyl)ethyl]benzene?
2-[difluoro(trifluoromethoxy)methyl]-1,3-difluoro-5-[2-(4-propylphenyl)ethyl]benzene has a molecular weight of 394.33 g/mol, XLogP of 6.29, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro(trifluoromethoxy)methyl]-1,3-difluoro-5-[2-(4-propylphenyl)ethyl]benzene is sourced from PubChem (CID 90179530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).