1-[2-[difluoro-(4-propylphenyl)methoxy]ethyl]-4-(trifluoromethoxy)benzene

C19H19F5O2 — CID 54046364

IUPAC1-[2-[difluoro-(4-propylphenyl)methoxy]ethyl]-4-(trifluoromethoxy)benzene
SMILESCCCc1ccc(C(F)(F)OCCc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C19H19F5O2/c1-2-3-14-4-8-16(9-5-14)18(20,21)25-13-12-15-6-10-17(11-7-15)26-19(22,23)24/h4-11H,2-3,12-13H2,1H3
InChIKeyLPWAXWAWYMYNLY-UHFFFAOYSA-N
MW374.35 g/mol
LogP5.85
Rot. Bonds8

About 1-[2-[difluoro-(4-propylphenyl)methoxy]ethyl]-4-(trifluoromethoxy)benzene

1-[2-[difluoro-(4-propylphenyl)methoxy]ethyl]-4-(trifluoromethoxy)benzene (PubChem CID 54046364) has the molecular formula C19H19F5O2 and a molecular weight of 374.35 g/mol. Its IUPAC name is 1-[2-[difluoro-(4-propylphenyl)methoxy]ethyl]-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-[2-[difluoro-(4-propylphenyl)methoxy]ethyl]-4-(trifluoromethoxy)benzene
PubChem CID54046364
Molecular FormulaC19H19F5O2
Molecular Weight374.35 g/mol
Exact Mass374.13
IUPAC Name1-[2-[difluoro-(4-propylphenyl)methoxy]ethyl]-4-(trifluoromethoxy)benzene
SMILESCCCc1ccc(C(F)(F)OCCc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C19H19F5O2/c1-2-3-14-4-8-16(9-5-14)18(20,21)25-13-12-15-6-10-17(11-7-15)26-19(22,23)24/h4-11H,2-3,12-13H2,1H3
InChIKeyLPWAXWAWYMYNLY-UHFFFAOYSA-N
XLogP5.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.35
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[difluoro-(4-nonylphenoxy)methyl]-4-[difluoro-(4-propylphenoxy)methyl]benzene
CID 70176896
1-[(4-butylphenoxy)-difluoromethyl]-4-[(4-ethylphenoxy)-difluoromethyl]benzene
CID 70176489
1-[difluoro-(4-heptylphenoxy)methyl]-4-[difluoro-(4-nonylphenoxy)methyl]benzene
CID 70177776
1-[difluoro-(4-hexylphenoxy)methyl]-4-[difluoro-(4-pentylphenoxy)methyl]benzene
CID 70178127
1-butyl-4-[[4-[difluoro-(4-heptylphenoxy)methyl]phenyl]-difluoromethoxy]benzene
CID 70176932
1-[difluoro-[4-(4-methoxycyclohexyl)phenoxy]methyl]-4-propylbenzene
CID 59940202
5-[[4-[difluoro-[4-(4-propylphenyl)phenyl]methoxy]phenyl]-difluoromethoxy]-2-[difluoro(trifluoromethoxy)methyl]-1,3-difluorobenzene
CID 90180015
1-butyl-4-[difluoro-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenoxy]methyl]benzene
CID 70176561
4-[difluoro-(4-propylphenyl)methoxy]-2-fluoro-1-methylbenzene
CID 59933487
2-[difluoro-(4-propylphenyl)methoxy]-6-fluoronaphthalene
CID 139854513
1-[(2-methylpropan-2-yl)oxy]-4-propylbenzene
CID 19097569
1-pentyl-4-[4-[2-[4-(trifluoromethoxy)phenyl]ethyl]phenyl]benzene
CID 18984117

Frequently Asked Questions

What is the IUPAC name of 1-[2-[difluoro-(4-propylphenyl)methoxy]ethyl]-4-(trifluoromethoxy)benzene?
The IUPAC name of 1-[2-[difluoro-(4-propylphenyl)methoxy]ethyl]-4-(trifluoromethoxy)benzene (CID 54046364) is 1-[2-[difluoro-(4-propylphenyl)methoxy]ethyl]-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-[2-[difluoro-(4-propylphenyl)methoxy]ethyl]-4-(trifluoromethoxy)benzene?
The canonical SMILES for 1-[2-[difluoro-(4-propylphenyl)methoxy]ethyl]-4-(trifluoromethoxy)benzene is CCCc1ccc(C(F)(F)OCCc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 1-[2-[difluoro-(4-propylphenyl)methoxy]ethyl]-4-(trifluoromethoxy)benzene?
The InChIKey is LPWAXWAWYMYNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F5O2/c1-2-3-14-4-8-16(9-5-14)18(20,21)25-13-12-15-6-10-17(11-7-15)26-19(22,23)24/h4-11H,2-3,12-13H2,1H3.
What are the key properties of 1-[2-[difluoro-(4-propylphenyl)methoxy]ethyl]-4-(trifluoromethoxy)benzene?
1-[2-[difluoro-(4-propylphenyl)methoxy]ethyl]-4-(trifluoromethoxy)benzene has a molecular weight of 374.35 g/mol, XLogP of 5.85, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[difluoro-(4-propylphenyl)methoxy]ethyl]-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 54046364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).