N-(2-fluoroethyl)-5-[methyl(methylidene)-λ4-sulfanyl]octan-2-amine

C12H26FNS — CID 123423742

IUPACN-(2-fluoroethyl)-5-[methyl(methylidene)-λ4-sulfanyl]octan-2-amine
SMILESC=S(C)C(CCC)CCC(C)NCCF
InChIInChI=1S/C12H26FNS/c1-5-6-12(15(3)4)8-7-11(2)14-10-9-13/h11-12,14H,3,5-10H2,1-2,4H3
InChIKeyFAWMFBVVBOPMTP-UHFFFAOYSA-N
MW235.41 g/mol
LogP3.21
Rot. Bonds9

About N-(2-fluoroethyl)-5-[methyl(methylidene)-λ4-sulfanyl]octan-2-amine

N-(2-fluoroethyl)-5-[methyl(methylidene)-λ4-sulfanyl]octan-2-amine (PubChem CID 123423742) has the molecular formula C12H26FNS and a molecular weight of 235.41 g/mol. Its IUPAC name is N-(2-fluoroethyl)-5-[methyl(methylidene)-λ4-sulfanyl]octan-2-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-5-[methyl(methylidene)-λ4-sulfanyl]octan-2-amine
PubChem CID123423742
Molecular FormulaC12H26FNS
Molecular Weight235.41 g/mol
Exact Mass235.18
IUPAC NameN-(2-fluoroethyl)-5-[methyl(methylidene)-λ4-sulfanyl]octan-2-amine
SMILESC=S(C)C(CCC)CCC(C)NCCF
InChIInChI=1S/C12H26FNS/c1-5-6-12(15(3)4)8-7-11(2)14-10-9-13/h11-12,14H,3,5-10H2,1-2,4H3
InChIKeyFAWMFBVVBOPMTP-UHFFFAOYSA-N
XLogP3.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-5-[methyl(methylidene)-λ4-sulfanyl]octan-2-amine?
The IUPAC name of N-(2-fluoroethyl)-5-[methyl(methylidene)-λ4-sulfanyl]octan-2-amine (CID 123423742) is N-(2-fluoroethyl)-5-[methyl(methylidene)-λ4-sulfanyl]octan-2-amine.
What is the SMILES notation for N-(2-fluoroethyl)-5-[methyl(methylidene)-λ4-sulfanyl]octan-2-amine?
The canonical SMILES for N-(2-fluoroethyl)-5-[methyl(methylidene)-λ4-sulfanyl]octan-2-amine is C=S(C)C(CCC)CCC(C)NCCF.
What is the InChIKey of N-(2-fluoroethyl)-5-[methyl(methylidene)-λ4-sulfanyl]octan-2-amine?
The InChIKey is FAWMFBVVBOPMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26FNS/c1-5-6-12(15(3)4)8-7-11(2)14-10-9-13/h11-12,14H,3,5-10H2,1-2,4H3.
What are the key properties of N-(2-fluoroethyl)-5-[methyl(methylidene)-λ4-sulfanyl]octan-2-amine?
N-(2-fluoroethyl)-5-[methyl(methylidene)-λ4-sulfanyl]octan-2-amine has a molecular weight of 235.41 g/mol, XLogP of 3.21, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-5-[methyl(methylidene)-λ4-sulfanyl]octan-2-amine is sourced from PubChem (CID 123423742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).