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

C10H18F5NOS — CID 142791539

IUPAC3-methyl-4-(4,4,5,5,5-pentafluoropentylsulfinyl)butan-1-amine
SMILESCC(CCN)CS(=O)CCCC(F)(F)C(F)(F)F
InChIInChI=1S/C10H18F5NOS/c1-8(3-5-16)7-18(17)6-2-4-9(11,12)10(13,14)15/h8H,2-7,16H2,1H3
InChIKeyYFFFSPURPGMXQN-UHFFFAOYSA-N
MW295.32 g/mol
LogP2.70
Rot. Bonds8

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

3-methyl-4-(4,4,5,5,5-pentafluoropentylsulfinyl)butan-1-amine (PubChem CID 142791539) has the molecular formula C10H18F5NOS and a molecular weight of 295.32 g/mol. Its IUPAC name is 3-methyl-4-(4,4,5,5,5-pentafluoropentylsulfinyl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-4-(4,4,5,5,5-pentafluoropentylsulfinyl)butan-1-amine
PubChem CID142791539
Molecular FormulaC10H18F5NOS
Molecular Weight295.32 g/mol
Exact Mass295.10
IUPAC Name3-methyl-4-(4,4,5,5,5-pentafluoropentylsulfinyl)butan-1-amine
SMILESCC(CCN)CS(=O)CCCC(F)(F)C(F)(F)F
InChIInChI=1S/C10H18F5NOS/c1-8(3-5-16)7-18(17)6-2-4-9(11,12)10(13,14)15/h8H,2-7,16H2,1H3
InChIKeyYFFFSPURPGMXQN-UHFFFAOYSA-N
XLogP2.70
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4,4,5,5,5-Pentafluoropentylsulfonyl)butan-1-amine
CID 57320744
2-[(2,2,3,3-Tetrafluorocyclobutyl)methylsulfinyl]ethanamine
CID 58684782
3-[(2,2,3,3-Tetrafluorocyclobutyl)methylsulfinyl]propan-1-amine
CID 58684989
N-methyl-4-[(RS)-(4,4,5,5,5-pentafluoropentyl)sulphinyl]butane-1-amine
CID 86696857
3-[(RS)-(4,4,5,5,5-Pentafluoropentyl)sulphinyl]propane-1-amine
CID 88121082
5-(4,4,5,5,5-Pentafluoropentylsulfinyl)pentan-2-amine
CID 89615306
3-Methyl-4-(3,3,4,4,4-pentafluorobutylsulfonyl)butan-1-amine
CID 142791533
3-Methyl-5-(3,3,3-trifluoropropylsulfonyl)pentan-1-amine
CID 142791534
3-Methyl-4-(3,3,3-trifluoropropylsulfonyl)butan-1-amine
CID 142791535
3-(5,5,6,6,6-Pentafluorohexylsulfonyl)butan-1-amine
CID 142791538
3-Methyl-4-(4,4,5,5,5-pentafluoropentylsulfonyl)butan-1-amine
CID 142791541
3-Methyl-4-(4,4,4-trifluorobutylsulfonyl)butan-1-amine
CID 142791542

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(4,4,5,5,5-pentafluoropentylsulfinyl)butan-1-amine?
The IUPAC name of 3-methyl-4-(4,4,5,5,5-pentafluoropentylsulfinyl)butan-1-amine (CID 142791539) is 3-methyl-4-(4,4,5,5,5-pentafluoropentylsulfinyl)butan-1-amine.
What is the SMILES notation for 3-methyl-4-(4,4,5,5,5-pentafluoropentylsulfinyl)butan-1-amine?
The canonical SMILES for 3-methyl-4-(4,4,5,5,5-pentafluoropentylsulfinyl)butan-1-amine is CC(CCN)CS(=O)CCCC(F)(F)C(F)(F)F.
What is the InChIKey of 3-methyl-4-(4,4,5,5,5-pentafluoropentylsulfinyl)butan-1-amine?
The InChIKey is YFFFSPURPGMXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F5NOS/c1-8(3-5-16)7-18(17)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-pentafluoropentylsulfinyl)butan-1-amine?
3-methyl-4-(4,4,5,5,5-pentafluoropentylsulfinyl)butan-1-amine has a molecular weight of 295.32 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(4,4,5,5,5-pentafluoropentylsulfinyl)butan-1-amine is sourced from PubChem (CID 142791539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).