N-methyl-3-(3,3,4,4,4-pentafluorobutylsulfinyl)propan-1-amine

C8H14F5NOS — CID 86696809

IUPACN-methyl-3-(3,3,4,4,4-pentafluorobutylsulfinyl)propan-1-amine
SMILESCNCCCS(=O)CCC(F)(F)C(F)(F)F
InChIInChI=1S/C8H14F5NOS/c1-14-4-2-5-16(15)6-3-7(9,10)8(11,12)13/h14H,2-6H2,1H3
InChIKeySFKVQOOHIRBIEX-UHFFFAOYSA-N
MW267.26 g/mol
LogP1.93
Rot. Bonds7

About N-methyl-3-(3,3,4,4,4-pentafluorobutylsulfinyl)propan-1-amine

N-methyl-3-(3,3,4,4,4-pentafluorobutylsulfinyl)propan-1-amine (PubChem CID 86696809) has the molecular formula C8H14F5NOS and a molecular weight of 267.26 g/mol. Its IUPAC name is N-methyl-3-(3,3,4,4,4-pentafluorobutylsulfinyl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(3,3,4,4,4-pentafluorobutylsulfinyl)propan-1-amine
PubChem CID86696809
Molecular FormulaC8H14F5NOS
Molecular Weight267.26 g/mol
Exact Mass267.07
IUPAC NameN-methyl-3-(3,3,4,4,4-pentafluorobutylsulfinyl)propan-1-amine
SMILESCNCCCS(=O)CCC(F)(F)C(F)(F)F
InChIInChI=1S/C8H14F5NOS/c1-14-4-2-5-16(15)6-3-7(9,10)8(11,12)13/h14H,2-6H2,1H3
InChIKeySFKVQOOHIRBIEX-UHFFFAOYSA-N
XLogP1.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methyl-3-(3,3,4,4,4-pentafluorobutylsulfinyl)propan-1-amine?
The IUPAC name of N-methyl-3-(3,3,4,4,4-pentafluorobutylsulfinyl)propan-1-amine (CID 86696809) is N-methyl-3-(3,3,4,4,4-pentafluorobutylsulfinyl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(3,3,4,4,4-pentafluorobutylsulfinyl)propan-1-amine?
The canonical SMILES for N-methyl-3-(3,3,4,4,4-pentafluorobutylsulfinyl)propan-1-amine is CNCCCS(=O)CCC(F)(F)C(F)(F)F.
What is the InChIKey of N-methyl-3-(3,3,4,4,4-pentafluorobutylsulfinyl)propan-1-amine?
The InChIKey is SFKVQOOHIRBIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F5NOS/c1-14-4-2-5-16(15)6-3-7(9,10)8(11,12)13/h14H,2-6H2,1H3.
What are the key properties of N-methyl-3-(3,3,4,4,4-pentafluorobutylsulfinyl)propan-1-amine?
N-methyl-3-(3,3,4,4,4-pentafluorobutylsulfinyl)propan-1-amine has a molecular weight of 267.26 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3,3,4,4,4-pentafluorobutylsulfinyl)propan-1-amine is sourced from PubChem (CID 86696809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).