1,1-difluoro-N-(3-methylsulfonylpropyl)propan-2-amine

C7H15F2NO2S — CID 102869245

IUPAC1,1-difluoro-N-(3-methylsulfonylpropyl)propan-2-amine
SMILESCC(NCCCS(C)(=O)=O)C(F)F
InChIInChI=1S/C7H15F2NO2S/c1-6(7(8)9)10-4-3-5-13(2,11)12/h6-7,10H,3-5H2,1-2H3
InChIKeyKZINOHQYTNZEJE-UHFFFAOYSA-N
MW215.26 g/mol
LogP0.66
Rot. Bonds6

About 1,1-difluoro-N-(3-methylsulfonylpropyl)propan-2-amine

1,1-difluoro-N-(3-methylsulfonylpropyl)propan-2-amine (PubChem CID 102869245) has the molecular formula C7H15F2NO2S and a molecular weight of 215.26 g/mol. Its IUPAC name is 1,1-difluoro-N-(3-methylsulfonylpropyl)propan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-N-(3-methylsulfonylpropyl)propan-2-amine
PubChem CID102869245
Molecular FormulaC7H15F2NO2S
Molecular Weight215.26 g/mol
Exact Mass215.08
IUPAC Name1,1-difluoro-N-(3-methylsulfonylpropyl)propan-2-amine
SMILESCC(NCCCS(C)(=O)=O)C(F)F
InChIInChI=1S/C7H15F2NO2S/c1-6(7(8)9)10-4-3-5-13(2,11)12/h6-7,10H,3-5H2,1-2H3
InChIKeyKZINOHQYTNZEJE-UHFFFAOYSA-N
XLogP0.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-chloro-N-(3-methylsulfonylpropyl)propan-2-amine
CID 65025907
6-methylsulfonyl-N-propan-2-ylhexan-1-amine
CID 64505621
N-(1,1-difluoropropan-2-yl)-4-methylpentan-1-amine
CID 102869254
1-bromo-3-methyl-N-(3-methylsulfonylpropyl)butan-2-amine
CID 107859068
N-(1,1-difluoropropan-2-yl)octan-1-amine
CID 102869921
N-(1,1-difluoropropan-2-yl)hexan-1-amine
CID 102868054
N-[(1S)-1-cyclopentylethyl]-3-methylsulfonylpropan-1-amine
CID 81395595
N-(3-methylsulfonylpropyl)octan-2-amine
CID 61019374
6-(1,1-difluoropropan-2-ylamino)hexan-1-ol
CID 107849401
4-methyl-7-methylsulfonyl-N-propylheptan-3-amine
CID 63562509
1-methylsulfonyl-3-(sulfamoylamino)propane
CID 112686404
1-cyclobutyl-N-(3-methylsulfonylpropyl)propan-2-amine
CID 115716722

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-(3-methylsulfonylpropyl)propan-2-amine?
The IUPAC name of 1,1-difluoro-N-(3-methylsulfonylpropyl)propan-2-amine (CID 102869245) is 1,1-difluoro-N-(3-methylsulfonylpropyl)propan-2-amine.
What is the SMILES notation for 1,1-difluoro-N-(3-methylsulfonylpropyl)propan-2-amine?
The canonical SMILES for 1,1-difluoro-N-(3-methylsulfonylpropyl)propan-2-amine is CC(NCCCS(C)(=O)=O)C(F)F.
What is the InChIKey of 1,1-difluoro-N-(3-methylsulfonylpropyl)propan-2-amine?
The InChIKey is KZINOHQYTNZEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NO2S/c1-6(7(8)9)10-4-3-5-13(2,11)12/h6-7,10H,3-5H2,1-2H3.
What are the key properties of 1,1-difluoro-N-(3-methylsulfonylpropyl)propan-2-amine?
1,1-difluoro-N-(3-methylsulfonylpropyl)propan-2-amine has a molecular weight of 215.26 g/mol, XLogP of 0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-(3-methylsulfonylpropyl)propan-2-amine is sourced from PubChem (CID 102869245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).