2-[[(R)-[(1R)-1-(2-fluorophenyl)ethyl]sulfinyl]methyl]-1,3,5-trimethylbenzene

C18H21FOS — CID 97311315

IUPAC2-[[(R)-[(1R)-1-(2-fluorophenyl)ethyl]sulfinyl]methyl]-1,3,5-trimethylbenzene
SMILESCc1cc(C)c(C[S@@](=O)[C@H](C)c2ccccc2F)c(C)c1
InChIInChI=1S/C18H21FOS/c1-12-9-13(2)17(14(3)10-12)11-21(20)15(4)16-7-5-6-8-18(16)19/h5-10,15H,11H2,1-4H3/t15-,21-/m1/s1
InChIKeyVAOJRHSGBASQNG-QVKFZJNVSA-N
MW304.43 g/mol
LogP4.76
Rot. Bonds4

About 2-[[(R)-[(1R)-1-(2-fluorophenyl)ethyl]sulfinyl]methyl]-1,3,5-trimethylbenzene

2-[[(R)-[(1R)-1-(2-fluorophenyl)ethyl]sulfinyl]methyl]-1,3,5-trimethylbenzene (PubChem CID 97311315) has the molecular formula C18H21FOS and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-[[(R)-[(1R)-1-(2-fluorophenyl)ethyl]sulfinyl]methyl]-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2-[[(R)-[(1R)-1-(2-fluorophenyl)ethyl]sulfinyl]methyl]-1,3,5-trimethylbenzene
PubChem CID97311315
Molecular FormulaC18H21FOS
Molecular Weight304.43 g/mol
Exact Mass304.13
IUPAC Name2-[[(R)-[(1R)-1-(2-fluorophenyl)ethyl]sulfinyl]methyl]-1,3,5-trimethylbenzene
SMILESCc1cc(C)c(C[S@@](=O)[C@H](C)c2ccccc2F)c(C)c1
InChIInChI=1S/C18H21FOS/c1-12-9-13(2)17(14(3)10-12)11-21(20)15(4)16-7-5-6-8-18(16)19/h5-10,15H,11H2,1-4H3/t15-,21-/m1/s1
InChIKeyVAOJRHSGBASQNG-QVKFZJNVSA-N
XLogP4.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluorophenyl)ethanesulfinate
CID 174586721
[1-(2-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethyl]hydrazine
CID 105216946
7-chloro-2-[[(S)-[(1S)-1-(2-fluorophenyl)ethyl]sulfinyl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 97313398
7-chloro-2-[1-(2-fluorophenyl)ethylsulfinylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 75420164
N-ethyl-1-(2-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 63417518
5-[(1S)-1-[(R)-(2-fluorophenyl)methylsulfinyl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 95617084
2-[(3,5-dimethylphenyl)methylsulfonyl]-1-(2-fluorophenyl)ethanol
CID 110905376
N-[(3-fluoro-4-methylphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 63646240
(1R)-1-(2-methylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 29053404
1-[(2-fluorophenyl)sulfinylmethyl]-3,5-dimethylbenzene
CID 63791578
3-fluoro-2-methyl-N-[(2,4,6-trimethylphenyl)methyl]aniline
CID 63453660
1-fluoro-2-(1-methyltellanylethyl)benzene
CID 174555913

Frequently Asked Questions

What is the IUPAC name of 2-[[(R)-[(1R)-1-(2-fluorophenyl)ethyl]sulfinyl]methyl]-1,3,5-trimethylbenzene?
The IUPAC name of 2-[[(R)-[(1R)-1-(2-fluorophenyl)ethyl]sulfinyl]methyl]-1,3,5-trimethylbenzene (CID 97311315) is 2-[[(R)-[(1R)-1-(2-fluorophenyl)ethyl]sulfinyl]methyl]-1,3,5-trimethylbenzene.
What is the SMILES notation for 2-[[(R)-[(1R)-1-(2-fluorophenyl)ethyl]sulfinyl]methyl]-1,3,5-trimethylbenzene?
The canonical SMILES for 2-[[(R)-[(1R)-1-(2-fluorophenyl)ethyl]sulfinyl]methyl]-1,3,5-trimethylbenzene is Cc1cc(C)c(C[S@@](=O)[C@H](C)c2ccccc2F)c(C)c1.
What is the InChIKey of 2-[[(R)-[(1R)-1-(2-fluorophenyl)ethyl]sulfinyl]methyl]-1,3,5-trimethylbenzene?
The InChIKey is VAOJRHSGBASQNG-QVKFZJNVSA-N. The full InChI is InChI=1S/C18H21FOS/c1-12-9-13(2)17(14(3)10-12)11-21(20)15(4)16-7-5-6-8-18(16)19/h5-10,15H,11H2,1-4H3/t15-,21-/m1/s1.
What are the key properties of 2-[[(R)-[(1R)-1-(2-fluorophenyl)ethyl]sulfinyl]methyl]-1,3,5-trimethylbenzene?
2-[[(R)-[(1R)-1-(2-fluorophenyl)ethyl]sulfinyl]methyl]-1,3,5-trimethylbenzene has a molecular weight of 304.43 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(R)-[(1R)-1-(2-fluorophenyl)ethyl]sulfinyl]methyl]-1,3,5-trimethylbenzene is sourced from PubChem (CID 97311315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).