[3-[(4-ethylphenyl)-difluoromethoxy]phenyl] hypofluorite

C15H13F3O2 — CID 130310575

IUPAC[3-[(4-ethylphenyl)-difluoromethoxy]phenyl] hypofluorite
SMILESCCc1ccc(C(F)(F)Oc2cccc(OF)c2)cc1
InChIInChI=1S/C15H13F3O2/c1-2-11-6-8-12(9-7-11)15(16,17)19-13-4-3-5-14(10-13)20-18/h3-10H,2H2,1H3
InChIKeyQTQJEVHNGRVUBV-UHFFFAOYSA-N
MW282.26 g/mol
LogP4.64
Rot. Bonds5

About [3-[(4-ethylphenyl)-difluoromethoxy]phenyl] hypofluorite

[3-[(4-ethylphenyl)-difluoromethoxy]phenyl] hypofluorite (PubChem CID 130310575) has the molecular formula C15H13F3O2 and a molecular weight of 282.26 g/mol. Its IUPAC name is [3-[(4-ethylphenyl)-difluoromethoxy]phenyl] hypofluorite.

Molecular Properties

Compound Name[3-[(4-ethylphenyl)-difluoromethoxy]phenyl] hypofluorite
PubChem CID130310575
Molecular FormulaC15H13F3O2
Molecular Weight282.26 g/mol
Exact Mass282.09
IUPAC Name[3-[(4-ethylphenyl)-difluoromethoxy]phenyl] hypofluorite
SMILESCCc1ccc(C(F)(F)Oc2cccc(OF)c2)cc1
InChIInChI=1S/C15H13F3O2/c1-2-11-6-8-12(9-7-11)15(16,17)19-13-4-3-5-14(10-13)20-18/h3-10H,2H2,1H3
InChIKeyQTQJEVHNGRVUBV-UHFFFAOYSA-N
XLogP4.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-butylphenoxy)-difluoromethyl]-4-[(4-ethylphenoxy)-difluoromethyl]benzene
CID 70176489
1-[difluoro(phenyl)methoxy]-3-fluorobenzene
CID 142370420
2-[difluoro-(4-propylphenyl)methoxy]-6-fluoronaphthalene
CID 139854513
1,3-bis(4-ethylphenoxy)benzene
CID 145452264
(4-ethylphenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 63411511
methyl-[[3-(trifluoromethoxy)phenyl]methyl]phosphane
CID 142185562
4-[difluoro-(4-propylphenyl)methoxy]-2-fluoro-1-methylbenzene
CID 59933487
1-(3-ethylphenoxy)-1,1-difluoro-N-methylmethanamine
CID 143587913
1-[bis(4-ethylphenyl)methyl]-4-(trifluoromethyl)benzene
CID 142535811
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
2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-6-ethylnaphthalene
CID 58598898

Frequently Asked Questions

What is the IUPAC name of [3-[(4-ethylphenyl)-difluoromethoxy]phenyl] hypofluorite?
The IUPAC name of [3-[(4-ethylphenyl)-difluoromethoxy]phenyl] hypofluorite (CID 130310575) is [3-[(4-ethylphenyl)-difluoromethoxy]phenyl] hypofluorite.
What is the SMILES notation for [3-[(4-ethylphenyl)-difluoromethoxy]phenyl] hypofluorite?
The canonical SMILES for [3-[(4-ethylphenyl)-difluoromethoxy]phenyl] hypofluorite is CCc1ccc(C(F)(F)Oc2cccc(OF)c2)cc1.
What is the InChIKey of [3-[(4-ethylphenyl)-difluoromethoxy]phenyl] hypofluorite?
The InChIKey is QTQJEVHNGRVUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O2/c1-2-11-6-8-12(9-7-11)15(16,17)19-13-4-3-5-14(10-13)20-18/h3-10H,2H2,1H3.
What are the key properties of [3-[(4-ethylphenyl)-difluoromethoxy]phenyl] hypofluorite?
[3-[(4-ethylphenyl)-difluoromethoxy]phenyl] hypofluorite has a molecular weight of 282.26 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-ethylphenyl)-difluoromethoxy]phenyl] hypofluorite is sourced from PubChem (CID 130310575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).