1-fluoro-2-(3-methylsulfanylpropoxy)benzene

C10H13FOS — CID 115647517

IUPAC1-fluoro-2-(3-methylsulfanylpropoxy)benzene
SMILESCSCCCOc1ccccc1F
InChIInChI=1S/C10H13FOS/c1-13-8-4-7-12-10-6-3-2-5-9(10)11/h2-3,5-6H,4,7-8H2,1H3
InChIKeyODYYKXCIKVHSHM-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.96
Rot. Bonds5

About 1-fluoro-2-(3-methylsulfanylpropoxy)benzene

1-fluoro-2-(3-methylsulfanylpropoxy)benzene (PubChem CID 115647517) has the molecular formula C10H13FOS and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-fluoro-2-(3-methylsulfanylpropoxy)benzene.

Molecular Properties

Compound Name1-fluoro-2-(3-methylsulfanylpropoxy)benzene
PubChem CID115647517
Molecular FormulaC10H13FOS
Molecular Weight200.28 g/mol
Exact Mass200.07
IUPAC Name1-fluoro-2-(3-methylsulfanylpropoxy)benzene
SMILESCSCCCOc1ccccc1F
InChIInChI=1S/C10H13FOS/c1-13-8-4-7-12-10-6-3-2-5-9(10)11/h2-3,5-6H,4,7-8H2,1H3
InChIKeyODYYKXCIKVHSHM-UHFFFAOYSA-N
XLogP2.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,2-difluoro-3-(2-methylsulfanylethoxy)benzene
CID 103907571
3-(2-fluorophenoxy)propane-1-thiol
CID 79001947
4-(2-fluorophenoxy)butan-1-ol
CID 43509993
N,N-bis(2-methylsulfanylethyl)-2-(3-methylsulfanylpropoxy)aniline
CID 101491479
1-fluoro-2-(2-iodoethoxy)benzene
CID 64787952
(1R)-1-[3-fluoro-4-(3-methylsulfanylpropoxy)phenyl]ethanamine
CID 104863322
5-(2-fluorophenoxy)-N-methylpentan-1-amine
CID 62453005
1-fluoro-2-[3-(2-methoxyethoxy)propoxy]benzene
CID 103413941
O-[2-(2-fluorophenoxy)ethyl]hydroxylamine
CID 11019312
1-fluoro-2-(4-phenylbutoxy)benzene
CID 91171700
N-[3-(2-fluorophenoxy)propyl]butan-1-amine
CID 2251064
1-bromo-2-methyl-3-(3-methylsulfanylpropoxy)benzene
CID 86697160

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(3-methylsulfanylpropoxy)benzene?
The IUPAC name of 1-fluoro-2-(3-methylsulfanylpropoxy)benzene (CID 115647517) is 1-fluoro-2-(3-methylsulfanylpropoxy)benzene.
What is the SMILES notation for 1-fluoro-2-(3-methylsulfanylpropoxy)benzene?
The canonical SMILES for 1-fluoro-2-(3-methylsulfanylpropoxy)benzene is CSCCCOc1ccccc1F.
What is the InChIKey of 1-fluoro-2-(3-methylsulfanylpropoxy)benzene?
The InChIKey is ODYYKXCIKVHSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FOS/c1-13-8-4-7-12-10-6-3-2-5-9(10)11/h2-3,5-6H,4,7-8H2,1H3.
What are the key properties of 1-fluoro-2-(3-methylsulfanylpropoxy)benzene?
1-fluoro-2-(3-methylsulfanylpropoxy)benzene has a molecular weight of 200.28 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(3-methylsulfanylpropoxy)benzene is sourced from PubChem (CID 115647517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).