2-[(3R)-1,1-difluoro-5-(4-phenylmethoxyphenyl)pent-1-en-3-yl]sulfanylnaphthalene

C28H24F2OS — CID 162623309

IUPAC2-[(3R)-1,1-difluoro-5-(4-phenylmethoxyphenyl)pent-1-en-3-yl]sulfanylnaphthalene
SMILESFC(F)=C[C@@H](CCc1ccc(OCc2ccccc2)cc1)Sc1ccc2ccccc2c1
InChIInChI=1S/C28H24F2OS/c29-28(30)19-27(32-26-17-13-23-8-4-5-9-24(23)18-26)16-12-21-10-14-25(15-11-21)31-20-22-6-2-1-3-7-22/h1-11,13-15,17-19,27H,12,16,20H2/t27-/m1/s1
InChIKeyBPUXRNWFDCQRPF-HHHXNRCGSA-N
MW446.56 g/mol
LogP8.29
Rot. Bonds9

About 2-[(3R)-1,1-difluoro-5-(4-phenylmethoxyphenyl)pent-1-en-3-yl]sulfanylnaphthalene

2-[(3R)-1,1-difluoro-5-(4-phenylmethoxyphenyl)pent-1-en-3-yl]sulfanylnaphthalene (PubChem CID 162623309) has the molecular formula C28H24F2OS and a molecular weight of 446.56 g/mol. Its IUPAC name is 2-[(3R)-1,1-difluoro-5-(4-phenylmethoxyphenyl)pent-1-en-3-yl]sulfanylnaphthalene.

Molecular Properties

Compound Name2-[(3R)-1,1-difluoro-5-(4-phenylmethoxyphenyl)pent-1-en-3-yl]sulfanylnaphthalene
PubChem CID162623309
Molecular FormulaC28H24F2OS
Molecular Weight446.56 g/mol
Exact Mass446.15
IUPAC Name2-[(3R)-1,1-difluoro-5-(4-phenylmethoxyphenyl)pent-1-en-3-yl]sulfanylnaphthalene
SMILESFC(F)=C[C@@H](CCc1ccc(OCc2ccccc2)cc1)Sc1ccc2ccccc2c1
InChIInChI=1S/C28H24F2OS/c29-28(30)19-27(32-26-17-13-23-8-4-5-9-24(23)18-26)16-12-21-10-14-25(15-11-21)31-20-22-6-2-1-3-7-22/h1-11,13-15,17-19,27H,12,16,20H2/t27-/m1/s1
InChIKeyBPUXRNWFDCQRPF-HHHXNRCGSA-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

Analyze 2-[(3R)-1,1-difluoro-5-(4-phenylmethoxyphenyl)pent-1-en-3-yl]sulfanylnaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethane, 1,2-bis(beta-(beta-naphthoxy)ethylthio)-
CID 45575
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
(R)-(1,1-difluoro-5-(naphthalen-1-yl)pent-1-en-3-yl)(4-methoxyphenyl)sulfane
CID 162623271
(Z)-(5-(4-(benzyloxy)phenyl)-1,1-difluoropent-2-en-2-yl)(phenethyl)sulfane
CID 162623281
(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

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1,1-difluoro-5-(4-phenylmethoxyphenyl)pent-1-en-3-yl]sulfanylnaphthalene?
The IUPAC name of 2-[(3R)-1,1-difluoro-5-(4-phenylmethoxyphenyl)pent-1-en-3-yl]sulfanylnaphthalene (CID 162623309) is 2-[(3R)-1,1-difluoro-5-(4-phenylmethoxyphenyl)pent-1-en-3-yl]sulfanylnaphthalene.
What is the SMILES notation for 2-[(3R)-1,1-difluoro-5-(4-phenylmethoxyphenyl)pent-1-en-3-yl]sulfanylnaphthalene?
The canonical SMILES for 2-[(3R)-1,1-difluoro-5-(4-phenylmethoxyphenyl)pent-1-en-3-yl]sulfanylnaphthalene is FC(F)=C[C@@H](CCc1ccc(OCc2ccccc2)cc1)Sc1ccc2ccccc2c1.
What is the InChIKey of 2-[(3R)-1,1-difluoro-5-(4-phenylmethoxyphenyl)pent-1-en-3-yl]sulfanylnaphthalene?
The InChIKey is BPUXRNWFDCQRPF-HHHXNRCGSA-N. The full InChI is InChI=1S/C28H24F2OS/c29-28(30)19-27(32-26-17-13-23-8-4-5-9-24(23)18-26)16-12-21-10-14-25(15-11-21)31-20-22-6-2-1-3-7-22/h1-11,13-15,17-19,27H,12,16,20H2/t27-/m1/s1.
What are the key properties of 2-[(3R)-1,1-difluoro-5-(4-phenylmethoxyphenyl)pent-1-en-3-yl]sulfanylnaphthalene?
2-[(3R)-1,1-difluoro-5-(4-phenylmethoxyphenyl)pent-1-en-3-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-[(3R)-1,1-difluoro-5-(4-phenylmethoxyphenyl)pent-1-en-3-yl]sulfanylnaphthalene is sourced from PubChem (CID 162623309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).