1-cyclopropylsulfanyl-3-fluoro-2-propan-2-ylbenzene

C12H15FS — CID 164811441

IUPAC1-cyclopropylsulfanyl-3-fluoro-2-propan-2-ylbenzene
SMILESCC(C)c1c(F)cccc1SC1CC1
InChIInChI=1S/C12H15FS/c1-8(2)12-10(13)4-3-5-11(12)14-9-6-7-9/h3-5,8-9H,6-7H2,1-2H3
InChIKeyRHLFNPQNRLADQU-UHFFFAOYSA-N
MW210.32 g/mol
LogP4.20
Rot. Bonds3

About 1-cyclopropylsulfanyl-3-fluoro-2-propan-2-ylbenzene

1-cyclopropylsulfanyl-3-fluoro-2-propan-2-ylbenzene (PubChem CID 164811441) has the molecular formula C12H15FS and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-cyclopropylsulfanyl-3-fluoro-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1-cyclopropylsulfanyl-3-fluoro-2-propan-2-ylbenzene
PubChem CID164811441
Molecular FormulaC12H15FS
Molecular Weight210.32 g/mol
Exact Mass210.09
IUPAC Name1-cyclopropylsulfanyl-3-fluoro-2-propan-2-ylbenzene
SMILESCC(C)c1c(F)cccc1SC1CC1
InChIInChI=1S/C12H15FS/c1-8(2)12-10(13)4-3-5-11(12)14-9-6-7-9/h3-5,8-9H,6-7H2,1-2H3
InChIKeyRHLFNPQNRLADQU-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-cyclohexylsulfanyl-6-fluorophenyl)ethanamine
CID 60886597
1-(2-cyclopentylsulfanyl-6-fluorophenyl)ethanamine
CID 63114882
(1R)-1-(2-cyclohexylsulfanyl-6-fluorophenyl)ethanamine
CID 63370324
1-(2-cyclohexylsulfanyl-6-fluorophenyl)-N-methylethanamine
CID 60887037
(1S)-1-[2-fluoro-6-(2-methyloxolan-3-yl)sulfanylphenyl]ethanamine
CID 107750531
N-[1-(2,6-difluorophenyl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 63449012
1-(2,6-difluorophenyl)ethanol
CID 5012075
2-cyclopentylsulfanyl-6-fluorobenzenecarboximidamide
CID 79522067
1-[3-fluoro-2-(oxan-4-ylsulfanyl)phenyl]ethanamine
CID 114059014
2-bromo-1-cyclopropylsulfanyl-4-fluorobenzene
CID 84706062
1,3-difluoro-2-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene
CID 160709728
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine
CID 103926269

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfanyl-3-fluoro-2-propan-2-ylbenzene?
The IUPAC name of 1-cyclopropylsulfanyl-3-fluoro-2-propan-2-ylbenzene (CID 164811441) is 1-cyclopropylsulfanyl-3-fluoro-2-propan-2-ylbenzene.
What is the SMILES notation for 1-cyclopropylsulfanyl-3-fluoro-2-propan-2-ylbenzene?
The canonical SMILES for 1-cyclopropylsulfanyl-3-fluoro-2-propan-2-ylbenzene is CC(C)c1c(F)cccc1SC1CC1.
What is the InChIKey of 1-cyclopropylsulfanyl-3-fluoro-2-propan-2-ylbenzene?
The InChIKey is RHLFNPQNRLADQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FS/c1-8(2)12-10(13)4-3-5-11(12)14-9-6-7-9/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of 1-cyclopropylsulfanyl-3-fluoro-2-propan-2-ylbenzene?
1-cyclopropylsulfanyl-3-fluoro-2-propan-2-ylbenzene has a molecular weight of 210.32 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfanyl-3-fluoro-2-propan-2-ylbenzene is sourced from PubChem (CID 164811441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).