2-[(R)-amino(sulfanyl)methoxy]-1-(4-fluorophenyl)ethanone

C9H10FNO2S — CID 124638969

IUPAC2-[(R)-amino(sulfanyl)methoxy]-1-(4-fluorophenyl)ethanone
SMILESN[C@@H](S)OCC(=O)c1ccc(F)cc1
InChIInChI=1S/C9H10FNO2S/c10-7-3-1-6(2-4-7)8(12)5-13-9(11)14/h1-4,9,14H,5,11H2/t9-/m1/s1
InChIKeyNDFWETKOJUTBSB-SECBINFHSA-N
MW215.25 g/mol
LogP1.20
Rot. Bonds4

About 2-[(R)-amino(sulfanyl)methoxy]-1-(4-fluorophenyl)ethanone

2-[(R)-amino(sulfanyl)methoxy]-1-(4-fluorophenyl)ethanone (PubChem CID 124638969) has the molecular formula C9H10FNO2S and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-[(R)-amino(sulfanyl)methoxy]-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[(R)-amino(sulfanyl)methoxy]-1-(4-fluorophenyl)ethanone
PubChem CID124638969
Molecular FormulaC9H10FNO2S
Molecular Weight215.25 g/mol
Exact Mass215.04
IUPAC Name2-[(R)-amino(sulfanyl)methoxy]-1-(4-fluorophenyl)ethanone
SMILESN[C@@H](S)OCC(=O)c1ccc(F)cc1
InChIInChI=1S/C9H10FNO2S/c10-7-3-1-6(2-4-7)8(12)5-13-9(11)14/h1-4,9,14H,5,11H2/t9-/m1/s1
InChIKeyNDFWETKOJUTBSB-SECBINFHSA-N
XLogP1.20
TPSA52.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-butan-2-yloxy-1-(4-fluorophenyl)ethanone
CID 60902739
[2-(4-fluorophenyl)-2-oxoethyl] N-methylcarbamate
CID 144688613
1-[4-(4-fluorophenyl)phenyl]-2-methoxyethanone
CID 146011430
2-[(R)-amino(sulfanyl)methoxy]-1-(2-chlorophenyl)ethanone
CID 124638946
4-O-[2-(4-fluorophenyl)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239651
1-(4-fluorophenyl)-2-hydroxysulfanylethanone
CID 142999162
[2-(4-fluorophenyl)-2-oxoethyl] 3-phenylprop-2-ynoate
CID 102518021
[2-(4-fluorophenyl)-2-oxoethyl] 4-(difluoromethylsulfonyl)benzoate
CID 2665366
2-(4-fluorophenoxy)-1-(4-methylphenyl)ethanone
CID 14970240
1-(4-fluorophenyl)-2-[4-(hydroxymethyl)phenoxy]ethanone
CID 60623791
2-(2-bromophenoxy)-1-(4-fluorophenyl)ethanone
CID 10638587
methyl 2-(4-fluorobenzoyl)-4-(4-fluorophenyl)-4-oxobutanoate
CID 101230887

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-amino(sulfanyl)methoxy]-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-[(R)-amino(sulfanyl)methoxy]-1-(4-fluorophenyl)ethanone (CID 124638969) is 2-[(R)-amino(sulfanyl)methoxy]-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-[(R)-amino(sulfanyl)methoxy]-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-[(R)-amino(sulfanyl)methoxy]-1-(4-fluorophenyl)ethanone is N[C@@H](S)OCC(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[(R)-amino(sulfanyl)methoxy]-1-(4-fluorophenyl)ethanone?
The InChIKey is NDFWETKOJUTBSB-SECBINFHSA-N. The full InChI is InChI=1S/C9H10FNO2S/c10-7-3-1-6(2-4-7)8(12)5-13-9(11)14/h1-4,9,14H,5,11H2/t9-/m1/s1.
What are the key properties of 2-[(R)-amino(sulfanyl)methoxy]-1-(4-fluorophenyl)ethanone?
2-[(R)-amino(sulfanyl)methoxy]-1-(4-fluorophenyl)ethanone has a molecular weight of 215.25 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-amino(sulfanyl)methoxy]-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 124638969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).