1-[1-(4-fluorophenyl)sulfinylcyclopentyl]-4-methylbenzene

C18H19FOS — CID 144882179

IUPAC1-[1-(4-fluorophenyl)sulfinylcyclopentyl]-4-methylbenzene
SMILESCc1ccc(C2(S(=O)c3ccc(F)cc3)CCCC2)cc1
InChIInChI=1S/C18H19FOS/c1-14-4-6-15(7-5-14)18(12-2-3-13-18)21(20)17-10-8-16(19)9-11-17/h4-11H,2-3,12-13H2,1H3
InChIKeyMAMJNYVVPJKNKY-UHFFFAOYSA-N
MW302.41 g/mol
LogP4.71
Rot. Bonds3

About 1-[1-(4-fluorophenyl)sulfinylcyclopentyl]-4-methylbenzene

1-[1-(4-fluorophenyl)sulfinylcyclopentyl]-4-methylbenzene (PubChem CID 144882179) has the molecular formula C18H19FOS and a molecular weight of 302.41 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)sulfinylcyclopentyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)sulfinylcyclopentyl]-4-methylbenzene
PubChem CID144882179
Molecular FormulaC18H19FOS
Molecular Weight302.41 g/mol
Exact Mass302.11
IUPAC Name1-[1-(4-fluorophenyl)sulfinylcyclopentyl]-4-methylbenzene
SMILESCc1ccc(C2(S(=O)c3ccc(F)cc3)CCCC2)cc1
InChIInChI=1S/C18H19FOS/c1-14-4-6-15(7-5-14)18(12-2-3-13-18)21(20)17-10-8-16(19)9-11-17/h4-11H,2-3,12-13H2,1H3
InChIKeyMAMJNYVVPJKNKY-UHFFFAOYSA-N
XLogP4.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-1-benzyl-3-(4-fluorophenyl)sulfinyl-3-(4-methylphenyl)pyrrolidine
CID 144882442
cyclohexyl-[(3R)-3-[4-(2,6-difluorophenyl)phenyl]-3-(4-fluorophenyl)sulfinylpyrrolidin-1-yl]methanone
CID 134374259
1-fluoro-4-methylbenzene;methane
CID 158431518
chromium;1-fluoro-4-methylbenzene
CID 139244082
azane;1-fluoro-4-(1-methylcyclopentyl)benzene
CID 174449315
methyl 3-(4-fluorophenyl)sulfinyl-3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyrrolidine-1-carboxylate
CID 134374340
1-fluoro-4-[1-methyl-2-(4-methylphenyl)cyclopentyl]benzene
CID 142096494
(1S,6S)-1,6-bis(4-methylphenyl)bicyclo[4.2.0]octane
CID 15247724
ethane;1-methyl-4-[1-(4-methylphenyl)cyclopentyl]benzene
CID 123671518
ethane;1-fluoro-4-methylsulfinylbenzene
CID 144882301
1-fluoro-4-methylbenzene;methylcyclobutane;toluene
CID 145168505
1-phenylcyclohexane-1-sulfinate
CID 66796209

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)sulfinylcyclopentyl]-4-methylbenzene?
The IUPAC name of 1-[1-(4-fluorophenyl)sulfinylcyclopentyl]-4-methylbenzene (CID 144882179) is 1-[1-(4-fluorophenyl)sulfinylcyclopentyl]-4-methylbenzene.
What is the SMILES notation for 1-[1-(4-fluorophenyl)sulfinylcyclopentyl]-4-methylbenzene?
The canonical SMILES for 1-[1-(4-fluorophenyl)sulfinylcyclopentyl]-4-methylbenzene is Cc1ccc(C2(S(=O)c3ccc(F)cc3)CCCC2)cc1.
What is the InChIKey of 1-[1-(4-fluorophenyl)sulfinylcyclopentyl]-4-methylbenzene?
The InChIKey is MAMJNYVVPJKNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FOS/c1-14-4-6-15(7-5-14)18(12-2-3-13-18)21(20)17-10-8-16(19)9-11-17/h4-11H,2-3,12-13H2,1H3.
What are the key properties of 1-[1-(4-fluorophenyl)sulfinylcyclopentyl]-4-methylbenzene?
1-[1-(4-fluorophenyl)sulfinylcyclopentyl]-4-methylbenzene has a molecular weight of 302.41 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)sulfinylcyclopentyl]-4-methylbenzene is sourced from PubChem (CID 144882179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).