2-[difluoro-(4-methoxyphenyl)methoxy]-3-fluoro-6-propylnaphthalene

C21H19F3O2 — CID 139861032

IUPAC2-[difluoro-(4-methoxyphenyl)methoxy]-3-fluoro-6-propylnaphthalene
SMILESCCCc1ccc2cc(OC(F)(F)c3ccc(OC)cc3)c(F)cc2c1
InChIInChI=1S/C21H19F3O2/c1-3-4-14-5-6-15-13-20(19(22)12-16(15)11-14)26-21(23,24)17-7-9-18(25-2)10-8-17/h5-13H,3-4H2,1-2H3
InChIKeyQTSYQZQEMRYFOB-UHFFFAOYSA-N
MW360.38 g/mol
LogP6.07
Rot. Bonds6

About 2-[difluoro-(4-methoxyphenyl)methoxy]-3-fluoro-6-propylnaphthalene

2-[difluoro-(4-methoxyphenyl)methoxy]-3-fluoro-6-propylnaphthalene (PubChem CID 139861032) has the molecular formula C21H19F3O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 2-[difluoro-(4-methoxyphenyl)methoxy]-3-fluoro-6-propylnaphthalene.

Molecular Properties

Compound Name2-[difluoro-(4-methoxyphenyl)methoxy]-3-fluoro-6-propylnaphthalene
PubChem CID139861032
Molecular FormulaC21H19F3O2
Molecular Weight360.38 g/mol
Exact Mass360.13
IUPAC Name2-[difluoro-(4-methoxyphenyl)methoxy]-3-fluoro-6-propylnaphthalene
SMILESCCCc1ccc2cc(OC(F)(F)c3ccc(OC)cc3)c(F)cc2c1
InChIInChI=1S/C21H19F3O2/c1-3-4-14-5-6-15-13-20(19(22)12-16(15)11-14)26-21(23,24)17-7-9-18(25-2)10-8-17/h5-13H,3-4H2,1-2H3
InChIKeyQTSYQZQEMRYFOB-UHFFFAOYSA-N
XLogP6.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.38
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-[(E)-but-2-enoxy]phenyl]-difluoromethoxy]-3-fluoro-6-propylnaphthalene
CID 139863155
2-[(4-ethoxyphenyl)-difluoromethoxy]-3-fluoro-6-methoxynaphthalene
CID 139860822
2-[[4-[(E)-but-2-enoxy]phenyl]-difluoromethoxy]-3-fluoro-6-pentylnaphthalene
CID 139862460
2-[(4-but-3-enylphenyl)-difluoromethoxy]-6-ethyl-3-fluoronaphthalene
CID 139863204
2-[[4-[(E)-but-2-enoxy]phenyl]-difluoromethoxy]-3-fluoro-6-methoxynaphthalene
CID 139861190
2-[difluoro-(4-propylphenyl)methoxy]-6-fluoronaphthalene
CID 139854513
6-[(E)-but-2-enoxy]-2-[(4-ethylphenyl)-difluoromethoxy]-3-fluoronaphthalene
CID 139861853
4-[difluoro-(4-propylphenyl)methoxy]-2-fluoro-1-methylbenzene
CID 59933487
2-[4-[[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenoxy]-difluoromethyl]phenyl]-6-propylnaphthalene
CID 90180260
2-[(4-but-3-enylcyclohexyl)-difluoromethoxy]-3-fluoro-6-propylnaphthalene
CID 139861808
6-[difluoro-(4-pentylphenyl)methoxy]-2-ethyl-3-fluoronaphthalene
CID 139864159
3-[difluoro-[4-(4-propylphenyl)phenyl]methoxy]-1,2,8-trifluoro-7-[4-(3,4,5-trifluorophenyl)phenyl]naphthalene
CID 118894722

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro-(4-methoxyphenyl)methoxy]-3-fluoro-6-propylnaphthalene?
The IUPAC name of 2-[difluoro-(4-methoxyphenyl)methoxy]-3-fluoro-6-propylnaphthalene (CID 139861032) is 2-[difluoro-(4-methoxyphenyl)methoxy]-3-fluoro-6-propylnaphthalene.
What is the SMILES notation for 2-[difluoro-(4-methoxyphenyl)methoxy]-3-fluoro-6-propylnaphthalene?
The canonical SMILES for 2-[difluoro-(4-methoxyphenyl)methoxy]-3-fluoro-6-propylnaphthalene is CCCc1ccc2cc(OC(F)(F)c3ccc(OC)cc3)c(F)cc2c1.
What is the InChIKey of 2-[difluoro-(4-methoxyphenyl)methoxy]-3-fluoro-6-propylnaphthalene?
The InChIKey is QTSYQZQEMRYFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3O2/c1-3-4-14-5-6-15-13-20(19(22)12-16(15)11-14)26-21(23,24)17-7-9-18(25-2)10-8-17/h5-13H,3-4H2,1-2H3.
What are the key properties of 2-[difluoro-(4-methoxyphenyl)methoxy]-3-fluoro-6-propylnaphthalene?
2-[difluoro-(4-methoxyphenyl)methoxy]-3-fluoro-6-propylnaphthalene has a molecular weight of 360.38 g/mol, XLogP of 6.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro-(4-methoxyphenyl)methoxy]-3-fluoro-6-propylnaphthalene is sourced from PubChem (CID 139861032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).