[amino-(2-fluorophenyl)methyl] sulfite

C7H7FNO3S- — CID 174565028

IUPAC[amino-(2-fluorophenyl)methyl] sulfite
SMILESNC(OS(=O)[O-])c1ccccc1F
InChIInChI=1S/C7H8FNO3S/c8-6-4-2-1-3-5(6)7(9)12-13(10)11/h1-4,7H,9H2,(H,10,11)/p-1
InChIKeyQEWQBETZXKECCI-UHFFFAOYSA-M
MW204.20 g/mol
LogP0.59
Rot. Bonds3

About [amino-(2-fluorophenyl)methyl] sulfite

[amino-(2-fluorophenyl)methyl] sulfite (PubChem CID 174565028) has the molecular formula C7H7FNO3S- and a molecular weight of 204.20 g/mol. Its IUPAC name is [amino-(2-fluorophenyl)methyl] sulfite.

Molecular Properties

Compound Name[amino-(2-fluorophenyl)methyl] sulfite
PubChem CID174565028
Molecular FormulaC7H7FNO3S-
Molecular Weight204.20 g/mol
Exact Mass204.01
IUPAC Name[amino-(2-fluorophenyl)methyl] sulfite
SMILESNC(OS(=O)[O-])c1ccccc1F
InChIInChI=1S/C7H8FNO3S/c8-6-4-2-1-3-5(6)7(9)12-13(10)11/h1-4,7H,9H2,(H,10,11)/p-1
InChIKeyQEWQBETZXKECCI-UHFFFAOYSA-M
XLogP0.59
TPSA75.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluorophenyl)ethanesulfinate
CID 174586721
2,3-diamino-3-(2-fluorophenyl)propanoic acid
CID 116942285
(1S)-1-(2-fluorophenyl)ethanamine;hydrochloride
CID 45072320
[3-amino-3-(2-fluorophenyl)propyl] carbamate;methane
CID 158668291
(2-fluorophenyl)-thiophen-2-ylmethanamine
CID 43186746
sodium;2-amino-2-(2-fluorophenyl)acetic acid;hydride
CID 173282392
[fluoro(phenanthren-1-yl)methyl] sulfite
CID 174847982
1-(2-fluorophenyl)propan-1-amine
CID 18439474
(1S)-1-(2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 66516599
ethyl (3S)-3-amino-3-(2-fluorophenyl)propanoate
CID 723062
methyl 2-(2-fluorophenyl)-2-hydroxyacetate
CID 19602988
1-[bromo-(2-fluorophenyl)methyl]-2-fluorobenzene
CID 22565374

Frequently Asked Questions

What is the IUPAC name of [amino-(2-fluorophenyl)methyl] sulfite?
The IUPAC name of [amino-(2-fluorophenyl)methyl] sulfite (CID 174565028) is [amino-(2-fluorophenyl)methyl] sulfite.
What is the SMILES notation for [amino-(2-fluorophenyl)methyl] sulfite?
The canonical SMILES for [amino-(2-fluorophenyl)methyl] sulfite is NC(OS(=O)[O-])c1ccccc1F.
What is the InChIKey of [amino-(2-fluorophenyl)methyl] sulfite?
The InChIKey is QEWQBETZXKECCI-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8FNO3S/c8-6-4-2-1-3-5(6)7(9)12-13(10)11/h1-4,7H,9H2,(H,10,11)/p-1.
What are the key properties of [amino-(2-fluorophenyl)methyl] sulfite?
[amino-(2-fluorophenyl)methyl] sulfite has a molecular weight of 204.20 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-(2-fluorophenyl)methyl] sulfite is sourced from PubChem (CID 174565028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).