2-(3-fluoroanilino)-5-methylsulfanylpentan-1-ol

C12H18FNOS — CID 103090157

IUPAC2-(3-fluoroanilino)-5-methylsulfanylpentan-1-ol
SMILESCSCCCC(CO)Nc1cccc(F)c1
InChIInChI=1S/C12H18FNOS/c1-16-7-3-6-12(9-15)14-11-5-2-4-10(13)8-11/h2,4-5,8,12,14-15H,3,6-7,9H2,1H3
InChIKeyVPLGODOMZOCHEO-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.74
Rot. Bonds7

About 2-(3-fluoroanilino)-5-methylsulfanylpentan-1-ol

2-(3-fluoroanilino)-5-methylsulfanylpentan-1-ol (PubChem CID 103090157) has the molecular formula C12H18FNOS and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(3-fluoroanilino)-5-methylsulfanylpentan-1-ol.

Molecular Properties

Compound Name2-(3-fluoroanilino)-5-methylsulfanylpentan-1-ol
PubChem CID103090157
Molecular FormulaC12H18FNOS
Molecular Weight243.35 g/mol
Exact Mass243.11
IUPAC Name2-(3-fluoroanilino)-5-methylsulfanylpentan-1-ol
SMILESCSCCCC(CO)Nc1cccc(F)c1
InChIInChI=1S/C12H18FNOS/c1-16-7-3-6-12(9-15)14-11-5-2-4-10(13)8-11/h2,4-5,8,12,14-15H,3,6-7,9H2,1H3
InChIKeyVPLGODOMZOCHEO-UHFFFAOYSA-N
XLogP2.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethylsulfanyl-2-(3-fluoroanilino)butan-1-ol
CID 116504850
2-(3-methylanilino)-4-methylsulfanylbutan-1-ol
CID 61048388
2-N-(3-fluorophenyl)heptane-1,2-diamine
CID 65383612
2-(3-methylanilino)octan-1-ol
CID 61049186
2-(3-fluoroanilino)-3-hydroxypropanamide
CID 104711180
(2R)-2-(5-fluoro-2-nitroanilino)-4-methylsulfanylbutan-1-ol
CID 100735589
1-(3-fluoroanilino)-2-(methylamino)ethanol
CID 69482385
2-(3-fluoroanilino)-2-(2-fluorophenyl)ethanol
CID 61048110
1-(2,6-difluorophenyl)-4-methylsulfanylbutan-1-ol
CID 103089788
N-(dichloromethyl)-3-fluoroaniline
CID 174909266
1-(1-aminohexan-2-yl)-3-(3-fluorophenyl)urea
CID 80696545
2-(3-bromophenyl)-2-(3-fluoroanilino)ethanol
CID 61048900

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroanilino)-5-methylsulfanylpentan-1-ol?
The IUPAC name of 2-(3-fluoroanilino)-5-methylsulfanylpentan-1-ol (CID 103090157) is 2-(3-fluoroanilino)-5-methylsulfanylpentan-1-ol.
What is the SMILES notation for 2-(3-fluoroanilino)-5-methylsulfanylpentan-1-ol?
The canonical SMILES for 2-(3-fluoroanilino)-5-methylsulfanylpentan-1-ol is CSCCCC(CO)Nc1cccc(F)c1.
What is the InChIKey of 2-(3-fluoroanilino)-5-methylsulfanylpentan-1-ol?
The InChIKey is VPLGODOMZOCHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNOS/c1-16-7-3-6-12(9-15)14-11-5-2-4-10(13)8-11/h2,4-5,8,12,14-15H,3,6-7,9H2,1H3.
What are the key properties of 2-(3-fluoroanilino)-5-methylsulfanylpentan-1-ol?
2-(3-fluoroanilino)-5-methylsulfanylpentan-1-ol has a molecular weight of 243.35 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoroanilino)-5-methylsulfanylpentan-1-ol is sourced from PubChem (CID 103090157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).