3-methyl-4-(4,4,5,5,5-pentafluoropentylsulfonyl)butan-1-amine

C10H18F5NO2S — CID 142791541

IUPAC3-methyl-4-(4,4,5,5,5-pentafluoropentylsulfonyl)butan-1-amine
SMILESCC(CCN)CS(=O)(=O)CCCC(F)(F)C(F)(F)F
InChIInChI=1S/C10H18F5NO2S/c1-8(3-5-16)7-19(17,18)6-2-4-9(11,12)10(13,14)15/h8H,2-7,16H2,1H3
InChIKeyGCFPYQFOPLPKHM-UHFFFAOYSA-N
MW311.32 g/mol
LogP2.36
Rot. Bonds8

About 3-methyl-4-(4,4,5,5,5-pentafluoropentylsulfonyl)butan-1-amine

3-methyl-4-(4,4,5,5,5-pentafluoropentylsulfonyl)butan-1-amine (PubChem CID 142791541) has the molecular formula C10H18F5NO2S and a molecular weight of 311.32 g/mol. Its IUPAC name is 3-methyl-4-(4,4,5,5,5-pentafluoropentylsulfonyl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-4-(4,4,5,5,5-pentafluoropentylsulfonyl)butan-1-amine
PubChem CID142791541
Molecular FormulaC10H18F5NO2S
Molecular Weight311.32 g/mol
Exact Mass311.10
IUPAC Name3-methyl-4-(4,4,5,5,5-pentafluoropentylsulfonyl)butan-1-amine
SMILESCC(CCN)CS(=O)(=O)CCCC(F)(F)C(F)(F)F
InChIInChI=1S/C10H18F5NO2S/c1-8(3-5-16)7-19(17,18)6-2-4-9(11,12)10(13,14)15/h8H,2-7,16H2,1H3
InChIKeyGCFPYQFOPLPKHM-UHFFFAOYSA-N
XLogP2.36
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-Methyl-4-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butane-1-sulfonyl]butan-1-amine
CID 86696847
3-(4,4,5,5,5-Pentafluoropentylsulfonyl)butan-1-amine
CID 57320744
3-[(2,2,3,3-Tetrafluorocyclobutyl)methylsulfonyl]propan-1-amine
CID 58684090
3-(5,5,5-Trifluoropentylsulfonyl)propan-1-amine
CID 86696841
4-(4,4,4-Trifluorobutylsulfonyl)butan-1-amine
CID 86696846
N-methyl-4-[(4,4,5,5,5-pentafluoropentyl)sulphonyl]butane-1-amine
CID 86696860
2-Methyl-2-(4,4,4-trifluorobutylsulfonyl)propan-1-amine
CID 87112802
6-(4,4,5,5,5-Pentafluoropentylsulfonyl)hexan-2-amine
CID 89614999
5-(4,4,4-Trifluorobutylsulfonyl)pentan-2-amine
CID 89615044
5-(3,3,3-Trifluoropropylsulfonyl)pentan-2-amine
CID 89615237
4-(4,4,5,5,5-Pentafluoropentylsulfonyl)butan-2-amine
CID 89615323
3-(4,4,4-Trifluorobutylsulfonyl)butan-1-amine
CID 115519838

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(4,4,5,5,5-pentafluoropentylsulfonyl)butan-1-amine?
The IUPAC name of 3-methyl-4-(4,4,5,5,5-pentafluoropentylsulfonyl)butan-1-amine (CID 142791541) is 3-methyl-4-(4,4,5,5,5-pentafluoropentylsulfonyl)butan-1-amine.
What is the SMILES notation for 3-methyl-4-(4,4,5,5,5-pentafluoropentylsulfonyl)butan-1-amine?
The canonical SMILES for 3-methyl-4-(4,4,5,5,5-pentafluoropentylsulfonyl)butan-1-amine is CC(CCN)CS(=O)(=O)CCCC(F)(F)C(F)(F)F.
What is the InChIKey of 3-methyl-4-(4,4,5,5,5-pentafluoropentylsulfonyl)butan-1-amine?
The InChIKey is GCFPYQFOPLPKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F5NO2S/c1-8(3-5-16)7-19(17,18)6-2-4-9(11,12)10(13,14)15/h8H,2-7,16H2,1H3.
What are the key properties of 3-methyl-4-(4,4,5,5,5-pentafluoropentylsulfonyl)butan-1-amine?
3-methyl-4-(4,4,5,5,5-pentafluoropentylsulfonyl)butan-1-amine has a molecular weight of 311.32 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(4,4,5,5,5-pentafluoropentylsulfonyl)butan-1-amine is sourced from PubChem (CID 142791541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).