1-[4,5-difluoro-2-methyl-6-(3-phenoxyphenyl)hex-4-en-3-yl]-4-(trifluoromethoxy)benzene

C26H23F5O2 — CID 70148916

IUPAC1-[4,5-difluoro-2-methyl-6-(3-phenoxyphenyl)hex-4-en-3-yl]-4-(trifluoromethoxy)benzene
SMILESCC(C)C(C(F)=C(F)Cc1cccc(Oc2ccccc2)c1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C26H23F5O2/c1-17(2)24(19-11-13-21(14-12-19)33-26(29,30)31)25(28)23(27)16-18-7-6-10-22(15-18)32-20-8-4-3-5-9-20/h3-15,17,24H,16H2,1-2H3
InChIKeyGIGOGZZZIVTLIY-UHFFFAOYSA-N
MW462.46 g/mol
LogP8.51
Rot. Bonds8

About 1-[4,5-difluoro-2-methyl-6-(3-phenoxyphenyl)hex-4-en-3-yl]-4-(trifluoromethoxy)benzene

1-[4,5-difluoro-2-methyl-6-(3-phenoxyphenyl)hex-4-en-3-yl]-4-(trifluoromethoxy)benzene (PubChem CID 70148916) has the molecular formula C26H23F5O2 and a molecular weight of 462.46 g/mol. Its IUPAC name is 1-[4,5-difluoro-2-methyl-6-(3-phenoxyphenyl)hex-4-en-3-yl]-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-[4,5-difluoro-2-methyl-6-(3-phenoxyphenyl)hex-4-en-3-yl]-4-(trifluoromethoxy)benzene
PubChem CID70148916
Molecular FormulaC26H23F5O2
Molecular Weight462.46 g/mol
Exact Mass462.16
IUPAC Name1-[4,5-difluoro-2-methyl-6-(3-phenoxyphenyl)hex-4-en-3-yl]-4-(trifluoromethoxy)benzene
SMILESCC(C)C(C(F)=C(F)Cc1cccc(Oc2ccccc2)c1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C26H23F5O2/c1-17(2)24(19-11-13-21(14-12-19)33-26(29,30)31)25(28)23(27)16-18-7-6-10-22(15-18)32-20-8-4-3-5-9-20/h3-15,17,24H,16H2,1-2H3
InChIKeyGIGOGZZZIVTLIY-UHFFFAOYSA-N
XLogP8.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.46
LogP ≤ 58.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-(4-chlorophenyl)-4,5-difluoro-6-(3-phenoxyphenyl)hex-4-en-1-ol
CID 59032878
1-[1,1-difluoro-2-methyl-3-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-(trifluoromethoxy)benzene
CID 19828146
(3-phenoxyphenyl)methyl 2-(4-fluorophenyl)-3-methylbutanimidate
CID 20571394
2-(3-phenoxyphenyl)-N-(trifluoromethyl)acetamide
CID 174660546
propan-2-ol;trifluoromethoxybenzene
CID 161029707
[4-(trifluoromethoxy)phenyl]-[[3-(trifluoromethoxy)phenyl]methoxy]methanol
CID 173278884
2-[3-methoxy-5-[3-[4-(trifluoromethoxy)phenyl]phenoxy]phenyl]acetic acid
CID 25062184
benzyl 2-[4-(trifluoromethoxy)phenyl]propanoate
CID 138500834
3-[3-[4-(trifluoromethoxy)phenoxy]phenoxy]phenol
CID 54570273
1-phenylmethoxy-3-[3-(trifluoromethoxy)phenoxy]benzene
CID 20738781
2-[3-(4-fluorophenoxy)phenyl]acetic acid
CID 138754182
4-[4-(4-chlorophenyl)-2,3-difluoro-5,5-dimethylhex-2-enyl]-1-fluoro-2-phenoxybenzene
CID 140995550

Frequently Asked Questions

What is the IUPAC name of 1-[4,5-difluoro-2-methyl-6-(3-phenoxyphenyl)hex-4-en-3-yl]-4-(trifluoromethoxy)benzene?
The IUPAC name of 1-[4,5-difluoro-2-methyl-6-(3-phenoxyphenyl)hex-4-en-3-yl]-4-(trifluoromethoxy)benzene (CID 70148916) is 1-[4,5-difluoro-2-methyl-6-(3-phenoxyphenyl)hex-4-en-3-yl]-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-[4,5-difluoro-2-methyl-6-(3-phenoxyphenyl)hex-4-en-3-yl]-4-(trifluoromethoxy)benzene?
The canonical SMILES for 1-[4,5-difluoro-2-methyl-6-(3-phenoxyphenyl)hex-4-en-3-yl]-4-(trifluoromethoxy)benzene is CC(C)C(C(F)=C(F)Cc1cccc(Oc2ccccc2)c1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-[4,5-difluoro-2-methyl-6-(3-phenoxyphenyl)hex-4-en-3-yl]-4-(trifluoromethoxy)benzene?
The InChIKey is GIGOGZZZIVTLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F5O2/c1-17(2)24(19-11-13-21(14-12-19)33-26(29,30)31)25(28)23(27)16-18-7-6-10-22(15-18)32-20-8-4-3-5-9-20/h3-15,17,24H,16H2,1-2H3.
What are the key properties of 1-[4,5-difluoro-2-methyl-6-(3-phenoxyphenyl)hex-4-en-3-yl]-4-(trifluoromethoxy)benzene?
1-[4,5-difluoro-2-methyl-6-(3-phenoxyphenyl)hex-4-en-3-yl]-4-(trifluoromethoxy)benzene has a molecular weight of 462.46 g/mol, XLogP of 8.51, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,5-difluoro-2-methyl-6-(3-phenoxyphenyl)hex-4-en-3-yl]-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 70148916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).