5-(cyclopentylsulfanylmethyl)-2-fluoro-3-(methylsulfanylmethyl)cyclohexa-1,3-diene

C14H21FS2 — CID 89434586

IUPAC5-(cyclopentylsulfanylmethyl)-2-fluoro-3-(methylsulfanylmethyl)cyclohexa-1,3-diene
SMILESCSCC1=CC(CSC2CCCC2)CC=C1F
InChIInChI=1S/C14H21FS2/c1-16-10-12-8-11(6-7-14(12)15)9-17-13-4-2-3-5-13/h7-8,11,13H,2-6,9-10H2,1H3
InChIKeyYGQGLUCHJPJFRE-UHFFFAOYSA-N
MW272.45 g/mol
LogP4.82
Rot. Bonds5

About 5-(cyclopentylsulfanylmethyl)-2-fluoro-3-(methylsulfanylmethyl)cyclohexa-1,3-diene

5-(cyclopentylsulfanylmethyl)-2-fluoro-3-(methylsulfanylmethyl)cyclohexa-1,3-diene (PubChem CID 89434586) has the molecular formula C14H21FS2 and a molecular weight of 272.45 g/mol. Its IUPAC name is 5-(cyclopentylsulfanylmethyl)-2-fluoro-3-(methylsulfanylmethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-(cyclopentylsulfanylmethyl)-2-fluoro-3-(methylsulfanylmethyl)cyclohexa-1,3-diene
PubChem CID89434586
Molecular FormulaC14H21FS2
Molecular Weight272.45 g/mol
Exact Mass272.11
IUPAC Name5-(cyclopentylsulfanylmethyl)-2-fluoro-3-(methylsulfanylmethyl)cyclohexa-1,3-diene
SMILESCSCC1=CC(CSC2CCCC2)CC=C1F
InChIInChI=1S/C14H21FS2/c1-16-10-12-8-11(6-7-14(12)15)9-17-13-4-2-3-5-13/h7-8,11,13H,2-6,9-10H2,1H3
InChIKeyYGQGLUCHJPJFRE-UHFFFAOYSA-N
XLogP4.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.45
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylsulfanylmethyl)-2-fluoro-3-(methylsulfanylmethyl)cyclohexa-1,3-diene?
The IUPAC name of 5-(cyclopentylsulfanylmethyl)-2-fluoro-3-(methylsulfanylmethyl)cyclohexa-1,3-diene (CID 89434586) is 5-(cyclopentylsulfanylmethyl)-2-fluoro-3-(methylsulfanylmethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 5-(cyclopentylsulfanylmethyl)-2-fluoro-3-(methylsulfanylmethyl)cyclohexa-1,3-diene?
The canonical SMILES for 5-(cyclopentylsulfanylmethyl)-2-fluoro-3-(methylsulfanylmethyl)cyclohexa-1,3-diene is CSCC1=CC(CSC2CCCC2)CC=C1F.
What is the InChIKey of 5-(cyclopentylsulfanylmethyl)-2-fluoro-3-(methylsulfanylmethyl)cyclohexa-1,3-diene?
The InChIKey is YGQGLUCHJPJFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FS2/c1-16-10-12-8-11(6-7-14(12)15)9-17-13-4-2-3-5-13/h7-8,11,13H,2-6,9-10H2,1H3.
What are the key properties of 5-(cyclopentylsulfanylmethyl)-2-fluoro-3-(methylsulfanylmethyl)cyclohexa-1,3-diene?
5-(cyclopentylsulfanylmethyl)-2-fluoro-3-(methylsulfanylmethyl)cyclohexa-1,3-diene has a molecular weight of 272.45 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylsulfanylmethyl)-2-fluoro-3-(methylsulfanylmethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 89434586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).