1-(2,5-difluorophenyl)sulfinylpentan-2-amine

C11H15F2NOS — CID 64651062

IUPAC1-(2,5-difluorophenyl)sulfinylpentan-2-amine
SMILESCCCC(N)CS(=O)c1cc(F)ccc1F
InChIInChI=1S/C11H15F2NOS/c1-2-3-9(14)7-16(15)11-6-8(12)4-5-10(11)13/h4-6,9H,2-3,7,14H2,1H3
InChIKeyVHWHBEORVRHJOE-UHFFFAOYSA-N
MW247.31 g/mol
LogP2.20
Rot. Bonds5

About 1-(2,5-difluorophenyl)sulfinylpentan-2-amine

1-(2,5-difluorophenyl)sulfinylpentan-2-amine (PubChem CID 64651062) has the molecular formula C11H15F2NOS and a molecular weight of 247.31 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)sulfinylpentan-2-amine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)sulfinylpentan-2-amine
PubChem CID64651062
Molecular FormulaC11H15F2NOS
Molecular Weight247.31 g/mol
Exact Mass247.08
IUPAC Name1-(2,5-difluorophenyl)sulfinylpentan-2-amine
SMILESCCCC(N)CS(=O)c1cc(F)ccc1F
InChIInChI=1S/C11H15F2NOS/c1-2-3-9(14)7-16(15)11-6-8(12)4-5-10(11)13/h4-6,9H,2-3,7,14H2,1H3
InChIKeyVHWHBEORVRHJOE-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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Related Compounds

1-(2,5-difluorophenyl)sulfinyl-N-methylbutan-2-amine
CID 64652274
3-(2,5-difluorophenyl)sulfinyl-2-ethoxypropan-1-amine
CID 81328146
1-cyclohexyl-2-(2,5-difluorophenyl)sulfinylethanamine
CID 104754679
1-(2-fluorophenyl)sulfinylbutan-2-amine
CID 64658337
1-(2,5-difluorophenyl)sulfinylpentan-2-one
CID 64638329
1-(2,5-difluorophenyl)sulfonylpentan-2-amine
CID 64647514
2-(2,5-difluorophenyl)sulfinylacetaldehyde
CID 66223483
1-cyclopentyl-2-(2,5-difluorophenyl)sulfinyl-N-ethylethanamine
CID 104754680
1-(2,5-difluorophenyl)sulfinyl-3-methylbutan-2-one
CID 79392957
2-(2,5-difluorophenyl)sulfinyl-1-(4-ethylphenyl)ethanone
CID 64640534
5-(2,5-difluorophenyl)sulfinylpentan-1-amine
CID 81328148
[4-[(2,5-difluorophenyl)sulfinylmethyl]phenyl]methanamine
CID 81328368

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)sulfinylpentan-2-amine?
The IUPAC name of 1-(2,5-difluorophenyl)sulfinylpentan-2-amine (CID 64651062) is 1-(2,5-difluorophenyl)sulfinylpentan-2-amine.
What is the SMILES notation for 1-(2,5-difluorophenyl)sulfinylpentan-2-amine?
The canonical SMILES for 1-(2,5-difluorophenyl)sulfinylpentan-2-amine is CCCC(N)CS(=O)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)sulfinylpentan-2-amine?
The InChIKey is VHWHBEORVRHJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NOS/c1-2-3-9(14)7-16(15)11-6-8(12)4-5-10(11)13/h4-6,9H,2-3,7,14H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)sulfinylpentan-2-amine?
1-(2,5-difluorophenyl)sulfinylpentan-2-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 1-(2,5-difluorophenyl)sulfinylpentan-2-amine is sourced from PubChem (CID 64651062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).