5-cyclohexyl-3-[(R)-(3-fluorophenyl)sulfinyl]-2-methyl-1-benzofuran

C21H21FO2S — CID 139085700

IUPAC5-cyclohexyl-3-[(R)-(3-fluorophenyl)sulfinyl]-2-methyl-1-benzofuran
SMILESCc1oc2ccc(C3CCCCC3)cc2c1[S@](=O)c1cccc(F)c1
InChIInChI=1S/C21H21FO2S/c1-14-21(25(23)18-9-5-8-17(22)13-18)19-12-16(10-11-20(19)24-14)15-6-3-2-4-7-15/h5,8-13,15H,2-4,6-7H2,1H3/t25-/m1/s1
InChIKeyKSFKEKFHEOAZSW-RUZDIDTESA-N
MW356.46 g/mol
LogP6.09
Rot. Bonds3

About 5-cyclohexyl-3-[(R)-(3-fluorophenyl)sulfinyl]-2-methyl-1-benzofuran

5-cyclohexyl-3-[(R)-(3-fluorophenyl)sulfinyl]-2-methyl-1-benzofuran (PubChem CID 139085700) has the molecular formula C21H21FO2S and a molecular weight of 356.46 g/mol. Its IUPAC name is 5-cyclohexyl-3-[(R)-(3-fluorophenyl)sulfinyl]-2-methyl-1-benzofuran.

Molecular Properties

Compound Name5-cyclohexyl-3-[(R)-(3-fluorophenyl)sulfinyl]-2-methyl-1-benzofuran
PubChem CID139085700
Molecular FormulaC21H21FO2S
Molecular Weight356.46 g/mol
Exact Mass356.12
IUPAC Name5-cyclohexyl-3-[(R)-(3-fluorophenyl)sulfinyl]-2-methyl-1-benzofuran
SMILESCc1oc2ccc(C3CCCCC3)cc2c1[S@](=O)c1cccc(F)c1
InChIInChI=1S/C21H21FO2S/c1-14-21(25(23)18-9-5-8-17(22)13-18)19-12-16(10-11-20(19)24-14)15-6-3-2-4-7-15/h5,8-13,15H,2-4,6-7H2,1H3/t25-/m1/s1
InChIKeyKSFKEKFHEOAZSW-RUZDIDTESA-N
XLogP6.09
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.46
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(benzenesulfinyl)-5-cyclohexyl-2-methyl-1-benzofuran
CID 123511581
5-cyclohexyl-2-(4-fluorophenyl)-3-[(R)-phenylsulfinyl]-1-benzofuran
CID 139085974
5-cyclohexyl-3-[(S)-methylsulfinyl]-2-phenyl-1-benzofuran
CID 139080616
3-(benzenesulfonyl)-5-cyclopentyl-2-methyl-1-benzofuran
CID 123652375
2-cyclohexyldibenzofuran
CID 163628573
5-fluoro-2-(3-fluorophenyl)-3-[(R)-methylsulfinyl]-1-benzofuran
CID 139087024
2,5-dimethyl-3-[(S)-methylsulfinyl]-1-benzofuran
CID 139071712
6-cyclohexyl-18-methyl-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene
CID 126657898
N-(4-cyclohexylphenyl)-3-fluoroaniline
CID 166048926
1,3-dicyclohexylbenzene;hydrogen peroxide
CID 88772360
8-cyclohexyl-N-[4-[4-(N-(8-cyclohexyldibenzofuran-2-yl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-2-amine
CID 71126832
3-amino-7-cyclohexyl-4-methylchromen-2-one
CID 121320509

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-3-[(R)-(3-fluorophenyl)sulfinyl]-2-methyl-1-benzofuran?
The IUPAC name of 5-cyclohexyl-3-[(R)-(3-fluorophenyl)sulfinyl]-2-methyl-1-benzofuran (CID 139085700) is 5-cyclohexyl-3-[(R)-(3-fluorophenyl)sulfinyl]-2-methyl-1-benzofuran.
What is the SMILES notation for 5-cyclohexyl-3-[(R)-(3-fluorophenyl)sulfinyl]-2-methyl-1-benzofuran?
The canonical SMILES for 5-cyclohexyl-3-[(R)-(3-fluorophenyl)sulfinyl]-2-methyl-1-benzofuran is Cc1oc2ccc(C3CCCCC3)cc2c1[S@](=O)c1cccc(F)c1.
What is the InChIKey of 5-cyclohexyl-3-[(R)-(3-fluorophenyl)sulfinyl]-2-methyl-1-benzofuran?
The InChIKey is KSFKEKFHEOAZSW-RUZDIDTESA-N. The full InChI is InChI=1S/C21H21FO2S/c1-14-21(25(23)18-9-5-8-17(22)13-18)19-12-16(10-11-20(19)24-14)15-6-3-2-4-7-15/h5,8-13,15H,2-4,6-7H2,1H3/t25-/m1/s1.
What are the key properties of 5-cyclohexyl-3-[(R)-(3-fluorophenyl)sulfinyl]-2-methyl-1-benzofuran?
5-cyclohexyl-3-[(R)-(3-fluorophenyl)sulfinyl]-2-methyl-1-benzofuran has a molecular weight of 356.46 g/mol, XLogP of 6.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-3-[(R)-(3-fluorophenyl)sulfinyl]-2-methyl-1-benzofuran is sourced from PubChem (CID 139085700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).