2-[(3,4-difluorophenyl)methylsulfonyl]propan-1-amine

C10H13F2NO2S — CID 82935441

IUPAC2-[(3,4-difluorophenyl)methylsulfonyl]propan-1-amine
SMILESCC(CN)S(=O)(=O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C10H13F2NO2S/c1-7(5-13)16(14,15)6-8-2-3-9(11)10(12)4-8/h2-4,7H,5-6,13H2,1H3
InChIKeyCUDLJLQCARVIBD-UHFFFAOYSA-N
MW249.28 g/mol
LogP1.23
Rot. Bonds4

About 2-[(3,4-difluorophenyl)methylsulfonyl]propan-1-amine

2-[(3,4-difluorophenyl)methylsulfonyl]propan-1-amine (PubChem CID 82935441) has the molecular formula C10H13F2NO2S and a molecular weight of 249.28 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)methylsulfonyl]propan-1-amine.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)methylsulfonyl]propan-1-amine
PubChem CID82935441
Molecular FormulaC10H13F2NO2S
Molecular Weight249.28 g/mol
Exact Mass249.06
IUPAC Name2-[(3,4-difluorophenyl)methylsulfonyl]propan-1-amine
SMILESCC(CN)S(=O)(=O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C10H13F2NO2S/c1-7(5-13)16(14,15)6-8-2-3-9(11)10(12)4-8/h2-4,7H,5-6,13H2,1H3
InChIKeyCUDLJLQCARVIBD-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-fluorophenyl)-2-[(3,4-difluorophenyl)methylsulfonyl]propanamide
CID 126801435
6-amino-1-(3,4-difluorophenyl)-5-methylhexan-2-one
CID 116607655
(2R)-2-amino-N-[(3,4-difluorophenyl)methyl]propanamide
CID 78973210
3-[(3-cyano-4-fluorophenyl)methylsulfonyl]butanoic acid
CID 107881372
4-(3,4-difluorophenyl)butan-2-amine;hydrochloride
CID 50988115
2-fluoro-1-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene
CID 159128494
2-(aminomethyl)-3-(3,4-difluorophenyl)-N,N-dimethylpropanamide
CID 55034945
3-[(3-bromo-4-methoxyphenyl)methylsulfonyl]butan-1-amine
CID 81195407
2-amino-N-[1-(3,4-difluorophenyl)-2-methylpropan-2-yl]propanamide
CID 118878544
2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethylpropanamide
CID 54872566
7-amino-1-(3,4-difluorophenyl)-5-methylheptan-2-one
CID 116581720
3-(3,4-difluorophenyl)-2-(4-methylphenyl)propan-1-amine
CID 82929801

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenyl)methylsulfonyl]propan-1-amine?
The IUPAC name of 2-[(3,4-difluorophenyl)methylsulfonyl]propan-1-amine (CID 82935441) is 2-[(3,4-difluorophenyl)methylsulfonyl]propan-1-amine.
What is the SMILES notation for 2-[(3,4-difluorophenyl)methylsulfonyl]propan-1-amine?
The canonical SMILES for 2-[(3,4-difluorophenyl)methylsulfonyl]propan-1-amine is CC(CN)S(=O)(=O)Cc1ccc(F)c(F)c1.
What is the InChIKey of 2-[(3,4-difluorophenyl)methylsulfonyl]propan-1-amine?
The InChIKey is CUDLJLQCARVIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO2S/c1-7(5-13)16(14,15)6-8-2-3-9(11)10(12)4-8/h2-4,7H,5-6,13H2,1H3.
What are the key properties of 2-[(3,4-difluorophenyl)methylsulfonyl]propan-1-amine?
2-[(3,4-difluorophenyl)methylsulfonyl]propan-1-amine has a molecular weight of 249.28 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorophenyl)methylsulfonyl]propan-1-amine is sourced from PubChem (CID 82935441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).