4-[difluoro-(4-propylphenyl)methoxy]-2-fluoro-1-methylbenzene

C17H17F3O — CID 59933487

IUPAC4-[difluoro-(4-propylphenyl)methoxy]-2-fluoro-1-methylbenzene
SMILESCCCc1ccc(C(F)(F)Oc2ccc(C)c(F)c2)cc1
InChIInChI=1S/C17H17F3O/c1-3-4-13-6-8-14(9-7-13)17(19,20)21-15-10-5-12(2)16(18)11-15/h5-11H,3-4H2,1-2H3
InChIKeyJFBBLQOJXZXZQI-UHFFFAOYSA-N
MW294.32 g/mol
LogP5.21
Rot. Bonds5

About 4-[difluoro-(4-propylphenyl)methoxy]-2-fluoro-1-methylbenzene

4-[difluoro-(4-propylphenyl)methoxy]-2-fluoro-1-methylbenzene (PubChem CID 59933487) has the molecular formula C17H17F3O and a molecular weight of 294.32 g/mol. Its IUPAC name is 4-[difluoro-(4-propylphenyl)methoxy]-2-fluoro-1-methylbenzene.

Molecular Properties

Compound Name4-[difluoro-(4-propylphenyl)methoxy]-2-fluoro-1-methylbenzene
PubChem CID59933487
Molecular FormulaC17H17F3O
Molecular Weight294.32 g/mol
Exact Mass294.12
IUPAC Name4-[difluoro-(4-propylphenyl)methoxy]-2-fluoro-1-methylbenzene
SMILESCCCc1ccc(C(F)(F)Oc2ccc(C)c(F)c2)cc1
InChIInChI=1S/C17H17F3O/c1-3-4-13-6-8-14(9-7-13)17(19,20)21-15-10-5-12(2)16(18)11-15/h5-11H,3-4H2,1-2H3
InChIKeyJFBBLQOJXZXZQI-UHFFFAOYSA-N
XLogP5.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.32
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[difluoro-(4-propylphenyl)methoxy]-6-fluoronaphthalene
CID 139854513
5-[[4-[difluoro-(4-propylphenyl)methoxy]-2-fluorophenyl]-difluoromethoxy]-2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluorobenzene
CID 89280338
5-[[4-[difluoro-[4-(4-propylphenyl)phenyl]methoxy]phenyl]-difluoromethoxy]-2-[difluoro(trifluoromethoxy)methyl]-1,3-difluorobenzene
CID 90180015
4-[difluoro-[4-(4-methylphenyl)phenyl]methoxy]-2-fluoro-1-methylbenzene
CID 21353267
5-[[4-[difluoro-(4-propylphenyl)methoxy]-2-fluorophenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-enoxy)benzene
CID 123269571
1-[difluoro-(4-nonylphenoxy)methyl]-4-[difluoro-(4-propylphenoxy)methyl]benzene
CID 70176896
5-[difluoro-[4-(4-propylphenyl)phenyl]methoxy]-2-[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenyl]-1,3-difluorobenzene
CID 90180290
1-[difluoro-(4-methylphenoxy)methyl]-2-fluoro-4-methylbenzene;1-[difluoro-(4-methylphenoxy)methyl]-4-methylbenzene;4-[difluoro-(4-methylphenyl)methoxy]-2-fluoro-1-methylbenzene
CID 143266126
5-[difluoro-[4-[2-fluoro-4-(4-propylphenyl)phenyl]phenyl]methoxy]-1,3-difluoro-2-(fluoromethoxy)benzene
CID 134222398
2-[4-[[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenoxy]-difluoromethyl]phenyl]-6-propylnaphthalene
CID 90180260
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

Frequently Asked Questions

What is the IUPAC name of 4-[difluoro-(4-propylphenyl)methoxy]-2-fluoro-1-methylbenzene?
The IUPAC name of 4-[difluoro-(4-propylphenyl)methoxy]-2-fluoro-1-methylbenzene (CID 59933487) is 4-[difluoro-(4-propylphenyl)methoxy]-2-fluoro-1-methylbenzene.
What is the SMILES notation for 4-[difluoro-(4-propylphenyl)methoxy]-2-fluoro-1-methylbenzene?
The canonical SMILES for 4-[difluoro-(4-propylphenyl)methoxy]-2-fluoro-1-methylbenzene is CCCc1ccc(C(F)(F)Oc2ccc(C)c(F)c2)cc1.
What is the InChIKey of 4-[difluoro-(4-propylphenyl)methoxy]-2-fluoro-1-methylbenzene?
The InChIKey is JFBBLQOJXZXZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3O/c1-3-4-13-6-8-14(9-7-13)17(19,20)21-15-10-5-12(2)16(18)11-15/h5-11H,3-4H2,1-2H3.
What are the key properties of 4-[difluoro-(4-propylphenyl)methoxy]-2-fluoro-1-methylbenzene?
4-[difluoro-(4-propylphenyl)methoxy]-2-fluoro-1-methylbenzene has a molecular weight of 294.32 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[difluoro-(4-propylphenyl)methoxy]-2-fluoro-1-methylbenzene is sourced from PubChem (CID 59933487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).