N-(2,2-difluoroethyl)-3-(4,4,5,5,5-pentafluoropentylsulfonyl)propan-1-amine

C10H16F7NO2S — CID 86696827

IUPACN-(2,2-difluoroethyl)-3-(4,4,5,5,5-pentafluoropentylsulfonyl)propan-1-amine
SMILESO=S(=O)(CCCNCC(F)F)CCCC(F)(F)C(F)(F)F
InChIInChI=1S/C10H16F7NO2S/c11-8(12)7-18-4-2-6-21(19,20)5-1-3-9(13,14)10(15,16)17/h8,18H,1-7H2
InChIKeyQIPWMUSWZFOJAP-UHFFFAOYSA-N
MW347.30 g/mol
LogP2.62
Rot. Bonds10

About N-(2,2-difluoroethyl)-3-(4,4,5,5,5-pentafluoropentylsulfonyl)propan-1-amine

N-(2,2-difluoroethyl)-3-(4,4,5,5,5-pentafluoropentylsulfonyl)propan-1-amine (PubChem CID 86696827) has the molecular formula C10H16F7NO2S and a molecular weight of 347.30 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-3-(4,4,5,5,5-pentafluoropentylsulfonyl)propan-1-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-3-(4,4,5,5,5-pentafluoropentylsulfonyl)propan-1-amine
PubChem CID86696827
Molecular FormulaC10H16F7NO2S
Molecular Weight347.30 g/mol
Exact Mass347.08
IUPAC NameN-(2,2-difluoroethyl)-3-(4,4,5,5,5-pentafluoropentylsulfonyl)propan-1-amine
SMILESO=S(=O)(CCCNCC(F)F)CCCC(F)(F)C(F)(F)F
InChIInChI=1S/C10H16F7NO2S/c11-8(12)7-18-4-2-6-21(19,20)5-1-3-9(13,14)10(15,16)17/h8,18H,1-7H2
InChIKeyQIPWMUSWZFOJAP-UHFFFAOYSA-N
XLogP2.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-3-(4,4,5,5,5-pentafluoropentylsulfonyl)propan-1-amine?
The IUPAC name of N-(2,2-difluoroethyl)-3-(4,4,5,5,5-pentafluoropentylsulfonyl)propan-1-amine (CID 86696827) is N-(2,2-difluoroethyl)-3-(4,4,5,5,5-pentafluoropentylsulfonyl)propan-1-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-3-(4,4,5,5,5-pentafluoropentylsulfonyl)propan-1-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-3-(4,4,5,5,5-pentafluoropentylsulfonyl)propan-1-amine is O=S(=O)(CCCNCC(F)F)CCCC(F)(F)C(F)(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-3-(4,4,5,5,5-pentafluoropentylsulfonyl)propan-1-amine?
The InChIKey is QIPWMUSWZFOJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F7NO2S/c11-8(12)7-18-4-2-6-21(19,20)5-1-3-9(13,14)10(15,16)17/h8,18H,1-7H2.
What are the key properties of N-(2,2-difluoroethyl)-3-(4,4,5,5,5-pentafluoropentylsulfonyl)propan-1-amine?
N-(2,2-difluoroethyl)-3-(4,4,5,5,5-pentafluoropentylsulfonyl)propan-1-amine has a molecular weight of 347.30 g/mol, XLogP of 2.62, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-3-(4,4,5,5,5-pentafluoropentylsulfonyl)propan-1-amine is sourced from PubChem (CID 86696827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).