3-(2-fluorophenyl)sulfinyloxan-4-amine

C11H14FNO2S — CID 64658520

IUPAC3-(2-fluorophenyl)sulfinyloxan-4-amine
SMILESNC1CCOCC1S(=O)c1ccccc1F
InChIInChI=1S/C11H14FNO2S/c12-8-3-1-2-4-10(8)16(14)11-7-15-6-5-9(11)13/h1-4,9,11H,5-7,13H2
InChIKeyRVTNEFVRWQBRCY-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.05
Rot. Bonds2

About 3-(2-fluorophenyl)sulfinyloxan-4-amine

3-(2-fluorophenyl)sulfinyloxan-4-amine (PubChem CID 64658520) has the molecular formula C11H14FNO2S and a molecular weight of 243.30 g/mol. Its IUPAC name is 3-(2-fluorophenyl)sulfinyloxan-4-amine.

Molecular Properties

Compound Name3-(2-fluorophenyl)sulfinyloxan-4-amine
PubChem CID64658520
Molecular FormulaC11H14FNO2S
Molecular Weight243.30 g/mol
Exact Mass243.07
IUPAC Name3-(2-fluorophenyl)sulfinyloxan-4-amine
SMILESNC1CCOCC1S(=O)c1ccccc1F
InChIInChI=1S/C11H14FNO2S/c12-8-3-1-2-4-10(8)16(14)11-7-15-6-5-9(11)13/h1-4,9,11H,5-7,13H2
InChIKeyRVTNEFVRWQBRCY-UHFFFAOYSA-N
XLogP1.05
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)sulfinyloxan-4-amine?
The IUPAC name of 3-(2-fluorophenyl)sulfinyloxan-4-amine (CID 64658520) is 3-(2-fluorophenyl)sulfinyloxan-4-amine.
What is the SMILES notation for 3-(2-fluorophenyl)sulfinyloxan-4-amine?
The canonical SMILES for 3-(2-fluorophenyl)sulfinyloxan-4-amine is NC1CCOCC1S(=O)c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)sulfinyloxan-4-amine?
The InChIKey is RVTNEFVRWQBRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2S/c12-8-3-1-2-4-10(8)16(14)11-7-15-6-5-9(11)13/h1-4,9,11H,5-7,13H2.
What are the key properties of 3-(2-fluorophenyl)sulfinyloxan-4-amine?
3-(2-fluorophenyl)sulfinyloxan-4-amine has a molecular weight of 243.30 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)sulfinyloxan-4-amine is sourced from PubChem (CID 64658520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).