1-fluoro-4-methylsulfanyl-2-propoxybenzene

C10H13FOS — CID 91657322

IUPAC1-fluoro-4-methylsulfanyl-2-propoxybenzene
SMILESCCCOc1cc(SC)ccc1F
InChIInChI=1S/C10H13FOS/c1-3-6-12-10-7-8(13-2)4-5-9(10)11/h4-5,7H,3,6H2,1-2H3
InChIKeyRLGXDRWJZMXPTA-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.34
Rot. Bonds4

About 1-fluoro-4-methylsulfanyl-2-propoxybenzene

1-fluoro-4-methylsulfanyl-2-propoxybenzene (PubChem CID 91657322) has the molecular formula C10H13FOS and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-fluoro-4-methylsulfanyl-2-propoxybenzene.

Molecular Properties

Compound Name1-fluoro-4-methylsulfanyl-2-propoxybenzene
PubChem CID91657322
Molecular FormulaC10H13FOS
Molecular Weight200.28 g/mol
Exact Mass200.07
IUPAC Name1-fluoro-4-methylsulfanyl-2-propoxybenzene
SMILESCCCOc1cc(SC)ccc1F
InChIInChI=1S/C10H13FOS/c1-3-6-12-10-7-8(13-2)4-5-9(10)11/h4-5,7H,3,6H2,1-2H3
InChIKeyRLGXDRWJZMXPTA-UHFFFAOYSA-N
XLogP3.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-fluoro-4-methyl-2-propoxybenzene
CID 162531945
methyl 4-methylsulfanyl-2-propoxybenzoate
CID 86116633
1-(5-methylsulfanyl-2-propoxyphenyl)ethanone
CID 70152546
(1S)-1-(4-fluoro-3-propoxyphenyl)ethanol
CID 97294393
1-bromo-2,4-difluoro-5-propoxybenzene
CID 125115840
1-fluoro-4-methylsulfanyl-2-(trifluoromethoxy)benzene
CID 123833545
(4-fluoro-3-propoxyphenyl)methylidenehydrazine
CID 168529277
2-fluoro-4-(3-fluoro-4-propoxyphenyl)-1-propoxybenzene
CID 19799924
2-chloro-4-methylsulfanyl-1-pentoxybenzene
CID 91657258
1,4-difluoro-2-hexoxybenzene
CID 23437312
3-butoxy-4-fluorophenol
CID 174949463
2-(2,2-dimethylpropoxy)-1-fluoro-4-propoxybenzene
CID 170603618

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-methylsulfanyl-2-propoxybenzene?
The IUPAC name of 1-fluoro-4-methylsulfanyl-2-propoxybenzene (CID 91657322) is 1-fluoro-4-methylsulfanyl-2-propoxybenzene.
What is the SMILES notation for 1-fluoro-4-methylsulfanyl-2-propoxybenzene?
The canonical SMILES for 1-fluoro-4-methylsulfanyl-2-propoxybenzene is CCCOc1cc(SC)ccc1F.
What is the InChIKey of 1-fluoro-4-methylsulfanyl-2-propoxybenzene?
The InChIKey is RLGXDRWJZMXPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FOS/c1-3-6-12-10-7-8(13-2)4-5-9(10)11/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 1-fluoro-4-methylsulfanyl-2-propoxybenzene?
1-fluoro-4-methylsulfanyl-2-propoxybenzene has a molecular weight of 200.28 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-methylsulfanyl-2-propoxybenzene is sourced from PubChem (CID 91657322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).