4-(1-aminocyclopropyl)-3-fluoro-2-methylsulfanylphenol

C10H12FNOS — CID 117304290

IUPAC4-(1-aminocyclopropyl)-3-fluoro-2-methylsulfanylphenol
SMILESCSc1c(O)ccc(C2(N)CC2)c1F
InChIInChI=1S/C10H12FNOS/c1-14-9-7(13)3-2-6(8(9)11)10(12)4-5-10/h2-3,13H,4-5,12H2,1H3
InChIKeyDTDDFUWLEQPRNS-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.20
Rot. Bonds2

About 4-(1-aminocyclopropyl)-3-fluoro-2-methylsulfanylphenol

4-(1-aminocyclopropyl)-3-fluoro-2-methylsulfanylphenol (PubChem CID 117304290) has the molecular formula C10H12FNOS and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-(1-aminocyclopropyl)-3-fluoro-2-methylsulfanylphenol.

Molecular Properties

Compound Name4-(1-aminocyclopropyl)-3-fluoro-2-methylsulfanylphenol
PubChem CID117304290
Molecular FormulaC10H12FNOS
Molecular Weight213.28 g/mol
Exact Mass213.06
IUPAC Name4-(1-aminocyclopropyl)-3-fluoro-2-methylsulfanylphenol
SMILESCSc1c(O)ccc(C2(N)CC2)c1F
InChIInChI=1S/C10H12FNOS/c1-14-9-7(13)3-2-6(8(9)11)10(12)4-5-10/h2-3,13H,4-5,12H2,1H3
InChIKeyDTDDFUWLEQPRNS-UHFFFAOYSA-N
XLogP2.20
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminocyclopropyl)-3-fluoro-2-methylsulfanylphenol?
The IUPAC name of 4-(1-aminocyclopropyl)-3-fluoro-2-methylsulfanylphenol (CID 117304290) is 4-(1-aminocyclopropyl)-3-fluoro-2-methylsulfanylphenol.
What is the SMILES notation for 4-(1-aminocyclopropyl)-3-fluoro-2-methylsulfanylphenol?
The canonical SMILES for 4-(1-aminocyclopropyl)-3-fluoro-2-methylsulfanylphenol is CSc1c(O)ccc(C2(N)CC2)c1F.
What is the InChIKey of 4-(1-aminocyclopropyl)-3-fluoro-2-methylsulfanylphenol?
The InChIKey is DTDDFUWLEQPRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNOS/c1-14-9-7(13)3-2-6(8(9)11)10(12)4-5-10/h2-3,13H,4-5,12H2,1H3.
What are the key properties of 4-(1-aminocyclopropyl)-3-fluoro-2-methylsulfanylphenol?
4-(1-aminocyclopropyl)-3-fluoro-2-methylsulfanylphenol has a molecular weight of 213.28 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminocyclopropyl)-3-fluoro-2-methylsulfanylphenol is sourced from PubChem (CID 117304290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).