5,5-difluoro-3-(4,4,5,5,5-pentafluoropentylsulfonyl)pentan-1-amine

C10H16F7NO2S — CID 142791543

IUPAC5,5-difluoro-3-(4,4,5,5,5-pentafluoropentylsulfonyl)pentan-1-amine
SMILESNCCC(CC(F)F)S(=O)(=O)CCCC(F)(F)C(F)(F)F
InChIInChI=1S/C10H16F7NO2S/c11-8(12)6-7(2-4-18)21(19,20)5-1-3-9(13,14)10(15,16)17/h7-8H,1-6,18H2
InChIKeyFOECYEYIZCDQSS-UHFFFAOYSA-N
MW347.30 g/mol
LogP2.75
Rot. Bonds9

About 5,5-difluoro-3-(4,4,5,5,5-pentafluoropentylsulfonyl)pentan-1-amine

5,5-difluoro-3-(4,4,5,5,5-pentafluoropentylsulfonyl)pentan-1-amine (PubChem CID 142791543) has the molecular formula C10H16F7NO2S and a molecular weight of 347.30 g/mol. Its IUPAC name is 5,5-difluoro-3-(4,4,5,5,5-pentafluoropentylsulfonyl)pentan-1-amine.

Molecular Properties

Compound Name5,5-difluoro-3-(4,4,5,5,5-pentafluoropentylsulfonyl)pentan-1-amine
PubChem CID142791543
Molecular FormulaC10H16F7NO2S
Molecular Weight347.30 g/mol
Exact Mass347.08
IUPAC Name5,5-difluoro-3-(4,4,5,5,5-pentafluoropentylsulfonyl)pentan-1-amine
SMILESNCCC(CC(F)F)S(=O)(=O)CCCC(F)(F)C(F)(F)F
InChIInChI=1S/C10H16F7NO2S/c11-8(12)6-7(2-4-18)21(19,20)5-1-3-9(13,14)10(15,16)17/h7-8H,1-6,18H2
InChIKeyFOECYEYIZCDQSS-UHFFFAOYSA-N
XLogP2.75
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5,5-difluoro-3-(4,4,5,5,5-pentafluoropentylsulfonyl)pentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-4-(4,4,5,5,5-pentafluoropentylsulfonyl)butan-1-amine
CID 142791541
N-(5-aminopentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059740
5,5,6,6,6-pentafluoro-2-(3,3,3-trifluoropropylsulfonyl)hexanoic acid
CID 86632846
4,4,5,5,5-pentafluoro-N-propylpentane-1-sulfonamide
CID 140997847
N-(4-aminobutan-2-yl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide
CID 83068462
6-(3-chloropropylsulfonyl)-1,1,1,2,2-pentafluorohexane
CID 88547170
dimethyl 2-(3,3,4,4,4-pentafluorobutyl)propanedioate
CID 139808891
4,4,5,5,6,6-hexafluorohexan-1-amine
CID 172565102
1,1,1,2,2-pentafluoro-6-methylheptane
CID 20579538
3-ethylsulfonyl-4,4,4-trifluorobutan-1-amine
CID 64696760
(2S)-2-amino-4-(3,3,4,4,4-pentafluorobutylsulfonimidoyl)butanoic acid
CID 168879929
2-heptan-4-ylsulfonylethanamine
CID 142872402

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-3-(4,4,5,5,5-pentafluoropentylsulfonyl)pentan-1-amine?
The IUPAC name of 5,5-difluoro-3-(4,4,5,5,5-pentafluoropentylsulfonyl)pentan-1-amine (CID 142791543) is 5,5-difluoro-3-(4,4,5,5,5-pentafluoropentylsulfonyl)pentan-1-amine.
What is the SMILES notation for 5,5-difluoro-3-(4,4,5,5,5-pentafluoropentylsulfonyl)pentan-1-amine?
The canonical SMILES for 5,5-difluoro-3-(4,4,5,5,5-pentafluoropentylsulfonyl)pentan-1-amine is NCCC(CC(F)F)S(=O)(=O)CCCC(F)(F)C(F)(F)F.
What is the InChIKey of 5,5-difluoro-3-(4,4,5,5,5-pentafluoropentylsulfonyl)pentan-1-amine?
The InChIKey is FOECYEYIZCDQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F7NO2S/c11-8(12)6-7(2-4-18)21(19,20)5-1-3-9(13,14)10(15,16)17/h7-8H,1-6,18H2.
What are the key properties of 5,5-difluoro-3-(4,4,5,5,5-pentafluoropentylsulfonyl)pentan-1-amine?
5,5-difluoro-3-(4,4,5,5,5-pentafluoropentylsulfonyl)pentan-1-amine has a molecular weight of 347.30 g/mol, XLogP of 2.75, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-3-(4,4,5,5,5-pentafluoropentylsulfonyl)pentan-1-amine is sourced from PubChem (CID 142791543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).