2-[(3R)-5,5-difluoro-3-(4-methoxyphenyl)sulfanylpent-4-enyl]-5-methylfuran

C17H18F2O2S — CID 162623321

IUPAC2-[(3R)-5,5-difluoro-3-(4-methoxyphenyl)sulfanylpent-4-enyl]-5-methylfuran
SMILESCOc1ccc(S[C@@H](C=C(F)F)CCc2ccc(C)o2)cc1
InChIInChI=1S/C17H18F2O2S/c1-12-3-4-14(21-12)7-10-16(11-17(18)19)22-15-8-5-13(20-2)6-9-15/h3-6,8-9,11,16H,7,10H2,1-2H3/t16-/m1/s1
InChIKeyFJXJZINZKOFZFJ-MRXNPFEDSA-N
MW324.39 g/mol
LogP5.47
Rot. Bonds7

About 2-[(3R)-5,5-difluoro-3-(4-methoxyphenyl)sulfanylpent-4-enyl]-5-methylfuran

2-[(3R)-5,5-difluoro-3-(4-methoxyphenyl)sulfanylpent-4-enyl]-5-methylfuran (PubChem CID 162623321) has the molecular formula C17H18F2O2S and a molecular weight of 324.39 g/mol. Its IUPAC name is 2-[(3R)-5,5-difluoro-3-(4-methoxyphenyl)sulfanylpent-4-enyl]-5-methylfuran.

Molecular Properties

Compound Name2-[(3R)-5,5-difluoro-3-(4-methoxyphenyl)sulfanylpent-4-enyl]-5-methylfuran
PubChem CID162623321
Molecular FormulaC17H18F2O2S
Molecular Weight324.39 g/mol
Exact Mass324.10
IUPAC Name2-[(3R)-5,5-difluoro-3-(4-methoxyphenyl)sulfanylpent-4-enyl]-5-methylfuran
SMILESCOc1ccc(S[C@@H](C=C(F)F)CCc2ccc(C)o2)cc1
InChIInChI=1S/C17H18F2O2S/c1-12-3-4-14(21-12)7-10-16(11-17(18)19)22-15-8-5-13(20-2)6-9-15/h3-6,8-9,11,16H,7,10H2,1-2H3/t16-/m1/s1
InChIKeyFJXJZINZKOFZFJ-MRXNPFEDSA-N
XLogP5.47
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.39
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(3R)-5,5-difluoro-3-(4-methoxyphenyl)sulfanylpent-4-enyl]-5-methylfuran with MolForge

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Related Compounds

tert-butyl-[(6R)-8,8-difluoro-6-(4-methoxyphenyl)sulfanyloct-7-enoxy]-dimethylsilane
CID 162623282
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CID 162623316
1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)propan-1-amine;hydrochloride
CID 6602911
(3R)-5-(5-methylfuran-2-yl)pent-1-yn-3-ol
CID 124706670
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CID 142104864
4-(4-methoxyphenyl)sulfanylpentanehydrazide
CID 63580974
1-(1-chloropropylsulfanyl)-4-methoxybenzene
CID 67755677
N-[2-(furan-2-yl)ethyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 47051152
ethyl (2S)-2-(4-hydroxyphenyl)sulfanyl-2-(4-methoxyphenyl)acetate
CID 129382572
1-(4-methoxyphenyl)-1-[(5-methylfuran-2-yl)methyl]urea
CID 162459040
1-methoxy-4-[1-(4-methylphenyl)sulfanylbutyl]benzene
CID 3045430
4-amino-2-(4-methoxyphenyl)sulfanylbutanoic acid
CID 64695649

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-5,5-difluoro-3-(4-methoxyphenyl)sulfanylpent-4-enyl]-5-methylfuran?
The IUPAC name of 2-[(3R)-5,5-difluoro-3-(4-methoxyphenyl)sulfanylpent-4-enyl]-5-methylfuran (CID 162623321) is 2-[(3R)-5,5-difluoro-3-(4-methoxyphenyl)sulfanylpent-4-enyl]-5-methylfuran.
What is the SMILES notation for 2-[(3R)-5,5-difluoro-3-(4-methoxyphenyl)sulfanylpent-4-enyl]-5-methylfuran?
The canonical SMILES for 2-[(3R)-5,5-difluoro-3-(4-methoxyphenyl)sulfanylpent-4-enyl]-5-methylfuran is COc1ccc(S[C@@H](C=C(F)F)CCc2ccc(C)o2)cc1.
What is the InChIKey of 2-[(3R)-5,5-difluoro-3-(4-methoxyphenyl)sulfanylpent-4-enyl]-5-methylfuran?
The InChIKey is FJXJZINZKOFZFJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18F2O2S/c1-12-3-4-14(21-12)7-10-16(11-17(18)19)22-15-8-5-13(20-2)6-9-15/h3-6,8-9,11,16H,7,10H2,1-2H3/t16-/m1/s1.
What are the key properties of 2-[(3R)-5,5-difluoro-3-(4-methoxyphenyl)sulfanylpent-4-enyl]-5-methylfuran?
2-[(3R)-5,5-difluoro-3-(4-methoxyphenyl)sulfanylpent-4-enyl]-5-methylfuran has a molecular weight of 324.39 g/mol, XLogP of 5.47, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-5,5-difluoro-3-(4-methoxyphenyl)sulfanylpent-4-enyl]-5-methylfuran is sourced from PubChem (CID 162623321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).