4-[(1-aminocyclopropyl)methyl]-3-fluoro-2-methylsulfanylphenol

C11H14FNOS — CID 117327320

IUPAC4-[(1-aminocyclopropyl)methyl]-3-fluoro-2-methylsulfanylphenol
SMILESCSc1c(O)ccc(CC2(N)CC2)c1F
InChIInChI=1S/C11H14FNOS/c1-15-10-8(14)3-2-7(9(10)12)6-11(13)4-5-11/h2-3,14H,4-6,13H2,1H3
InChIKeyGXUUJHWVQCVWAC-UHFFFAOYSA-N
MW227.30 g/mol
LogP2.29
Rot. Bonds3

About 4-[(1-aminocyclopropyl)methyl]-3-fluoro-2-methylsulfanylphenol

4-[(1-aminocyclopropyl)methyl]-3-fluoro-2-methylsulfanylphenol (PubChem CID 117327320) has the molecular formula C11H14FNOS and a molecular weight of 227.30 g/mol. Its IUPAC name is 4-[(1-aminocyclopropyl)methyl]-3-fluoro-2-methylsulfanylphenol.

Molecular Properties

Compound Name4-[(1-aminocyclopropyl)methyl]-3-fluoro-2-methylsulfanylphenol
PubChem CID117327320
Molecular FormulaC11H14FNOS
Molecular Weight227.30 g/mol
Exact Mass227.08
IUPAC Name4-[(1-aminocyclopropyl)methyl]-3-fluoro-2-methylsulfanylphenol
SMILESCSc1c(O)ccc(CC2(N)CC2)c1F
InChIInChI=1S/C11H14FNOS/c1-15-10-8(14)3-2-7(9(10)12)6-11(13)4-5-11/h2-3,14H,4-6,13H2,1H3
InChIKeyGXUUJHWVQCVWAC-UHFFFAOYSA-N
XLogP2.29
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-aminocyclopropyl)methyl]-3-fluoro-2-methylsulfanylphenol?
The IUPAC name of 4-[(1-aminocyclopropyl)methyl]-3-fluoro-2-methylsulfanylphenol (CID 117327320) is 4-[(1-aminocyclopropyl)methyl]-3-fluoro-2-methylsulfanylphenol.
What is the SMILES notation for 4-[(1-aminocyclopropyl)methyl]-3-fluoro-2-methylsulfanylphenol?
The canonical SMILES for 4-[(1-aminocyclopropyl)methyl]-3-fluoro-2-methylsulfanylphenol is CSc1c(O)ccc(CC2(N)CC2)c1F.
What is the InChIKey of 4-[(1-aminocyclopropyl)methyl]-3-fluoro-2-methylsulfanylphenol?
The InChIKey is GXUUJHWVQCVWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNOS/c1-15-10-8(14)3-2-7(9(10)12)6-11(13)4-5-11/h2-3,14H,4-6,13H2,1H3.
What are the key properties of 4-[(1-aminocyclopropyl)methyl]-3-fluoro-2-methylsulfanylphenol?
4-[(1-aminocyclopropyl)methyl]-3-fluoro-2-methylsulfanylphenol has a molecular weight of 227.30 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-aminocyclopropyl)methyl]-3-fluoro-2-methylsulfanylphenol is sourced from PubChem (CID 117327320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).