3-(2,4-difluorophenyl)sulfinylpentan-1-amine

C11H15F2NOS — CID 81328351

IUPAC3-(2,4-difluorophenyl)sulfinylpentan-1-amine
SMILESCCC(CCN)S(=O)c1ccc(F)cc1F
InChIInChI=1S/C11H15F2NOS/c1-2-9(5-6-14)16(15)11-4-3-8(12)7-10(11)13/h3-4,7,9H,2,5-6,14H2,1H3
InChIKeyIAUDLVFWFVRADU-UHFFFAOYSA-N
MW247.31 g/mol
LogP2.20
Rot. Bonds5

About 3-(2,4-difluorophenyl)sulfinylpentan-1-amine

3-(2,4-difluorophenyl)sulfinylpentan-1-amine (PubChem CID 81328351) has the molecular formula C11H15F2NOS and a molecular weight of 247.31 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)sulfinylpentan-1-amine.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)sulfinylpentan-1-amine
PubChem CID81328351
Molecular FormulaC11H15F2NOS
Molecular Weight247.31 g/mol
Exact Mass247.08
IUPAC Name3-(2,4-difluorophenyl)sulfinylpentan-1-amine
SMILESCCC(CCN)S(=O)c1ccc(F)cc1F
InChIInChI=1S/C11H15F2NOS/c1-2-9(5-6-14)16(15)11-4-3-8(12)7-10(11)13/h3-4,7,9H,2,5-6,14H2,1H3
InChIKeyIAUDLVFWFVRADU-UHFFFAOYSA-N
XLogP2.20
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)sulfinylpentan-1-amine?
The IUPAC name of 3-(2,4-difluorophenyl)sulfinylpentan-1-amine (CID 81328351) is 3-(2,4-difluorophenyl)sulfinylpentan-1-amine.
What is the SMILES notation for 3-(2,4-difluorophenyl)sulfinylpentan-1-amine?
The canonical SMILES for 3-(2,4-difluorophenyl)sulfinylpentan-1-amine is CCC(CCN)S(=O)c1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluorophenyl)sulfinylpentan-1-amine?
The InChIKey is IAUDLVFWFVRADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NOS/c1-2-9(5-6-14)16(15)11-4-3-8(12)7-10(11)13/h3-4,7,9H,2,5-6,14H2,1H3.
What are the key properties of 3-(2,4-difluorophenyl)sulfinylpentan-1-amine?
3-(2,4-difluorophenyl)sulfinylpentan-1-amine has a molecular weight of 247.31 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)sulfinylpentan-1-amine is sourced from PubChem (CID 81328351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).