2-[difluoro-(4-propylphenyl)methoxy]-6-fluoronaphthalene

C20H17F3O — CID 139854513

IUPAC2-[difluoro-(4-propylphenyl)methoxy]-6-fluoronaphthalene
SMILESCCCc1ccc(C(F)(F)Oc2ccc3cc(F)ccc3c2)cc1
InChIInChI=1S/C20H17F3O/c1-2-3-14-4-8-17(9-5-14)20(22,23)24-19-11-7-15-12-18(21)10-6-16(15)13-19/h4-13H,2-3H2,1H3
InChIKeyPAFYNPMXXUOVLH-UHFFFAOYSA-N
MW330.35 g/mol
LogP6.06
Rot. Bonds5

About 2-[difluoro-(4-propylphenyl)methoxy]-6-fluoronaphthalene

2-[difluoro-(4-propylphenyl)methoxy]-6-fluoronaphthalene (PubChem CID 139854513) has the molecular formula C20H17F3O and a molecular weight of 330.35 g/mol. Its IUPAC name is 2-[difluoro-(4-propylphenyl)methoxy]-6-fluoronaphthalene.

Molecular Properties

Compound Name2-[difluoro-(4-propylphenyl)methoxy]-6-fluoronaphthalene
PubChem CID139854513
Molecular FormulaC20H17F3O
Molecular Weight330.35 g/mol
Exact Mass330.12
IUPAC Name2-[difluoro-(4-propylphenyl)methoxy]-6-fluoronaphthalene
SMILESCCCc1ccc(C(F)(F)Oc2ccc3cc(F)ccc3c2)cc1
InChIInChI=1S/C20H17F3O/c1-2-3-14-4-8-17(9-5-14)20(22,23)24-19-11-7-15-12-18(21)10-6-16(15)13-19/h4-13H,2-3H2,1H3
InChIKeyPAFYNPMXXUOVLH-UHFFFAOYSA-N
XLogP6.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.35
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[difluoro-(4-propylphenyl)methoxy]-2-fluoro-1-methylbenzene
CID 59933487
1-[difluoro-(4-nonylphenoxy)methyl]-4-[difluoro-(4-propylphenoxy)methyl]benzene
CID 70176896
6-[difluoro-(4-pentylphenyl)methoxy]-2-ethyl-3-fluoronaphthalene
CID 139864159
2-[difluoro-(4-methoxyphenyl)methoxy]-3-fluoro-6-propylnaphthalene
CID 139861032
1-[(4-butylphenoxy)-difluoromethyl]-4-[(4-ethylphenoxy)-difluoromethyl]benzene
CID 70176489
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
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-butyl-4-[difluoro-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenoxy]methyl]benzene
CID 70176561
2-[4-[[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenoxy]-difluoromethyl]phenyl]-6-propylnaphthalene
CID 90180260

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro-(4-propylphenyl)methoxy]-6-fluoronaphthalene?
The IUPAC name of 2-[difluoro-(4-propylphenyl)methoxy]-6-fluoronaphthalene (CID 139854513) is 2-[difluoro-(4-propylphenyl)methoxy]-6-fluoronaphthalene.
What is the SMILES notation for 2-[difluoro-(4-propylphenyl)methoxy]-6-fluoronaphthalene?
The canonical SMILES for 2-[difluoro-(4-propylphenyl)methoxy]-6-fluoronaphthalene is CCCc1ccc(C(F)(F)Oc2ccc3cc(F)ccc3c2)cc1.
What is the InChIKey of 2-[difluoro-(4-propylphenyl)methoxy]-6-fluoronaphthalene?
The InChIKey is PAFYNPMXXUOVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3O/c1-2-3-14-4-8-17(9-5-14)20(22,23)24-19-11-7-15-12-18(21)10-6-16(15)13-19/h4-13H,2-3H2,1H3.
What are the key properties of 2-[difluoro-(4-propylphenyl)methoxy]-6-fluoronaphthalene?
2-[difluoro-(4-propylphenyl)methoxy]-6-fluoronaphthalene has a molecular weight of 330.35 g/mol, XLogP of 6.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro-(4-propylphenyl)methoxy]-6-fluoronaphthalene is sourced from PubChem (CID 139854513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).