2-[(Z)-1,1-difluoro-5-(4-phenylmethoxyphenyl)pent-2-en-2-yl]sulfanylnaphthalene

C28H24F2OS — CID 162623335

IUPAC2-[(Z)-1,1-difluoro-5-(4-phenylmethoxyphenyl)pent-2-en-2-yl]sulfanylnaphthalene
SMILESFC(F)/C(=C/CCc1ccc(OCc2ccccc2)cc1)Sc1ccc2ccccc2c1
InChIInChI=1S/C28H24F2OS/c29-28(30)27(32-26-18-15-23-10-4-5-11-24(23)19-26)12-6-9-21-13-16-25(17-14-21)31-20-22-7-2-1-3-8-22/h1-5,7-8,10-19,28H,6,9,20H2/b27-12-
InChIKeySSHYPZSWWMXGTP-PPDIBHTLSA-N
MW446.56 g/mol
LogP8.29
Rot. Bonds9

About 2-[(Z)-1,1-difluoro-5-(4-phenylmethoxyphenyl)pent-2-en-2-yl]sulfanylnaphthalene

2-[(Z)-1,1-difluoro-5-(4-phenylmethoxyphenyl)pent-2-en-2-yl]sulfanylnaphthalene (PubChem CID 162623335) has the molecular formula C28H24F2OS and a molecular weight of 446.56 g/mol. Its IUPAC name is 2-[(Z)-1,1-difluoro-5-(4-phenylmethoxyphenyl)pent-2-en-2-yl]sulfanylnaphthalene.

Molecular Properties

Compound Name2-[(Z)-1,1-difluoro-5-(4-phenylmethoxyphenyl)pent-2-en-2-yl]sulfanylnaphthalene
PubChem CID162623335
Molecular FormulaC28H24F2OS
Molecular Weight446.56 g/mol
Exact Mass446.15
IUPAC Name2-[(Z)-1,1-difluoro-5-(4-phenylmethoxyphenyl)pent-2-en-2-yl]sulfanylnaphthalene
SMILESFC(F)/C(=C/CCc1ccc(OCc2ccccc2)cc1)Sc1ccc2ccccc2c1
InChIInChI=1S/C28H24F2OS/c29-28(30)27(32-26-18-15-23-10-4-5-11-24(23)19-26)12-6-9-21-13-16-25(17-14-21)31-20-22-7-2-1-3-8-22/h1-5,7-8,10-19,28H,6,9,20H2/b27-12-
InChIKeySSHYPZSWWMXGTP-PPDIBHTLSA-N
XLogP8.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.56
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Sulfide, bis(2-(2-naphthoxy)ethyl)
CID 218475
(R)-benzyl(5-(4-(benzyloxy)phenyl)-1,1-difluoropent-1-en-3-yl)sulfane
CID 162623295
(R)-(5-(4-(benzyloxy)phenyl)-1,1-difluoropent-1-en-3-yl)(m-tolyl)sulfane
CID 162623347
(4-Methoxyphenyl)(naphthalen-2-yl)sulfane
CID 14813922
4'-Butoxy-4-trifluoromethylsulfanyl-biphenyl
CID 14816969
(R)-(5-(4-(benzyloxy)phenyl)-1,1-difluoropent-1-en-3-yl)(phenethyl)sulfane
CID 162623262
(Z)-(5-(4-(benzyloxy)phenyl)-1,1-difluoropent-2-en-2-yl)(4-(tert-butyl)phenyl)sulfane
CID 162623266
(Z)-(5-(4-(benzyloxy)phenyl)-1,1-difluoropent-2-en-2-yl)(phenethyl)sulfane
CID 162623281
(Z)-(1,1-difluoro-5-(naphthalen-1-yl)pent-2-en-2-yl)(4-methoxyphenyl)sulfane
CID 162623284
(R)-(5-(4-(benzyloxy)phenyl)-1,1-difluoropent-1-en-3-yl)(4-(tert-butyl)phenyl)sulfane
CID 162623285
(Z)-(5-(4-(benzyloxy)phenyl)-1,1-difluoropent-2-en-2-yl)(4-methoxyphenyl)sulfane
CID 162623307
(R)-(5-(4-(benzyloxy)phenyl)-1,1-difluoropent-1-en-3-yl)(naphthalen-2-yl)sulfane
CID 162623309

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1,1-difluoro-5-(4-phenylmethoxyphenyl)pent-2-en-2-yl]sulfanylnaphthalene?
The IUPAC name of 2-[(Z)-1,1-difluoro-5-(4-phenylmethoxyphenyl)pent-2-en-2-yl]sulfanylnaphthalene (CID 162623335) is 2-[(Z)-1,1-difluoro-5-(4-phenylmethoxyphenyl)pent-2-en-2-yl]sulfanylnaphthalene.
What is the SMILES notation for 2-[(Z)-1,1-difluoro-5-(4-phenylmethoxyphenyl)pent-2-en-2-yl]sulfanylnaphthalene?
The canonical SMILES for 2-[(Z)-1,1-difluoro-5-(4-phenylmethoxyphenyl)pent-2-en-2-yl]sulfanylnaphthalene is FC(F)/C(=C/CCc1ccc(OCc2ccccc2)cc1)Sc1ccc2ccccc2c1.
What is the InChIKey of 2-[(Z)-1,1-difluoro-5-(4-phenylmethoxyphenyl)pent-2-en-2-yl]sulfanylnaphthalene?
The InChIKey is SSHYPZSWWMXGTP-PPDIBHTLSA-N. The full InChI is InChI=1S/C28H24F2OS/c29-28(30)27(32-26-18-15-23-10-4-5-11-24(23)19-26)12-6-9-21-13-16-25(17-14-21)31-20-22-7-2-1-3-8-22/h1-5,7-8,10-19,28H,6,9,20H2/b27-12-.
What are the key properties of 2-[(Z)-1,1-difluoro-5-(4-phenylmethoxyphenyl)pent-2-en-2-yl]sulfanylnaphthalene?
2-[(Z)-1,1-difluoro-5-(4-phenylmethoxyphenyl)pent-2-en-2-yl]sulfanylnaphthalene has a molecular weight of 446.56 g/mol, XLogP of 8.29, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1,1-difluoro-5-(4-phenylmethoxyphenyl)pent-2-en-2-yl]sulfanylnaphthalene is sourced from PubChem (CID 162623335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).