[3-(2,2-difluoropropylsulfonyl)phenyl]methanamine

C10H13F2NO2S — CID 84706979

IUPAC[3-(2,2-difluoropropylsulfonyl)phenyl]methanamine
SMILESCC(F)(F)CS(=O)(=O)c1cccc(CN)c1
InChIInChI=1S/C10H13F2NO2S/c1-10(11,12)7-16(14,15)9-4-2-3-8(5-9)6-13/h2-5H,6-7,13H2,1H3
InChIKeyKIWMNHWSGWCKSG-UHFFFAOYSA-N
MW249.28 g/mol
LogP1.57
Rot. Bonds4

About [3-(2,2-difluoropropylsulfonyl)phenyl]methanamine

[3-(2,2-difluoropropylsulfonyl)phenyl]methanamine (PubChem CID 84706979) has the molecular formula C10H13F2NO2S and a molecular weight of 249.28 g/mol. Its IUPAC name is [3-(2,2-difluoropropylsulfonyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(2,2-difluoropropylsulfonyl)phenyl]methanamine
PubChem CID84706979
Molecular FormulaC10H13F2NO2S
Molecular Weight249.28 g/mol
Exact Mass249.06
IUPAC Name[3-(2,2-difluoropropylsulfonyl)phenyl]methanamine
SMILESCC(F)(F)CS(=O)(=O)c1cccc(CN)c1
InChIInChI=1S/C10H13F2NO2S/c1-10(11,12)7-16(14,15)9-4-2-3-8(5-9)6-13/h2-5H,6-7,13H2,1H3
InChIKeyKIWMNHWSGWCKSG-UHFFFAOYSA-N
XLogP1.57
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-fluoroethylsulfonyl)phenyl]methanamine
CID 84682681
(3-propylsulfonylphenyl)methanamine
CID 83926717
[3-(3-fluoropropylsulfonyl)phenyl]methanamine
CID 84694590
[3-(4-methylphenyl)sulfonylphenyl]methanamine
CID 117036589
[3-[2-(3-methylbutan-2-ylsulfinyl)ethylsulfonyl]phenyl]methanamine
CID 107767054
[3-[2-(2-methylbutylsulfanyl)ethylsulfonyl]phenyl]methanamine
CID 107752285
acetic acid;(3-methylsulfonylphenyl)methanamine
CID 86081139
[3-(4-bromophenyl)sulfonylphenyl]methanamine
CID 117036591
[3-(2-methyl-1-methylsulfonylpropan-2-yl)phenyl]methanamine
CID 115044421
3-(aminomethyl)-N-(2,2-dimethylbutyl)benzenesulfonamide
CID 103461066
3-(aminomethyl)-N-ethyl-N-propan-2-ylbenzenesulfonamide
CID 43265789
3-(aminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106433696

Frequently Asked Questions

What is the IUPAC name of [3-(2,2-difluoropropylsulfonyl)phenyl]methanamine?
The IUPAC name of [3-(2,2-difluoropropylsulfonyl)phenyl]methanamine (CID 84706979) is [3-(2,2-difluoropropylsulfonyl)phenyl]methanamine.
What is the SMILES notation for [3-(2,2-difluoropropylsulfonyl)phenyl]methanamine?
The canonical SMILES for [3-(2,2-difluoropropylsulfonyl)phenyl]methanamine is CC(F)(F)CS(=O)(=O)c1cccc(CN)c1.
What is the InChIKey of [3-(2,2-difluoropropylsulfonyl)phenyl]methanamine?
The InChIKey is KIWMNHWSGWCKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO2S/c1-10(11,12)7-16(14,15)9-4-2-3-8(5-9)6-13/h2-5H,6-7,13H2,1H3.
What are the key properties of [3-(2,2-difluoropropylsulfonyl)phenyl]methanamine?
[3-(2,2-difluoropropylsulfonyl)phenyl]methanamine has a molecular weight of 249.28 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2-difluoropropylsulfonyl)phenyl]methanamine is sourced from PubChem (CID 84706979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).