methane;molecular hydrogen;1,1,1-trifluoro-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]propan-2-amine

C15H34F3NO2 — CID 156795196

IUPACmethane;molecular hydrogen;1,1,1-trifluoro-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]propan-2-amine
SMILESC.CCC(C)CCCOCCOCCNC(C)C(F)(F)F.[H][H]
InChIInChI=1S/C14H28F3NO2.CH4.H2/c1-4-12(2)6-5-8-19-10-11-20-9-7-18-13(3)14(15,16)17;;/h12-13,18H,4-11H2,1-3H3;1H4;1H
InChIKeyFDGDYJJOSDWZKH-UHFFFAOYSA-N
MW317.44 g/mol
LogP4.27
Rot. Bonds12

About methane;molecular hydrogen;1,1,1-trifluoro-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]propan-2-amine

methane;molecular hydrogen;1,1,1-trifluoro-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]propan-2-amine (PubChem CID 156795196) has the molecular formula C15H34F3NO2 and a molecular weight of 317.44 g/mol. Its IUPAC name is methane;molecular hydrogen;1,1,1-trifluoro-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]propan-2-amine.

Molecular Properties

Compound Namemethane;molecular hydrogen;1,1,1-trifluoro-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]propan-2-amine
PubChem CID156795196
Molecular FormulaC15H34F3NO2
Molecular Weight317.44 g/mol
Exact Mass317.25
IUPAC Namemethane;molecular hydrogen;1,1,1-trifluoro-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]propan-2-amine
SMILESC.CCC(C)CCCOCCOCCNC(C)C(F)(F)F.[H][H]
InChIInChI=1S/C14H28F3NO2.CH4.H2/c1-4-12(2)6-5-8-19-10-11-20-9-7-18-13(3)14(15,16)17;;/h12-13,18H,4-11H2,1-3H3;1H4;1H
InChIKeyFDGDYJJOSDWZKH-UHFFFAOYSA-N
XLogP4.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methane;molecular hydrogen;1,1,1-trifluoro-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]propan-2-amine?
The IUPAC name of methane;molecular hydrogen;1,1,1-trifluoro-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]propan-2-amine (CID 156795196) is methane;molecular hydrogen;1,1,1-trifluoro-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]propan-2-amine.
What is the SMILES notation for methane;molecular hydrogen;1,1,1-trifluoro-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]propan-2-amine?
The canonical SMILES for methane;molecular hydrogen;1,1,1-trifluoro-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]propan-2-amine is C.CCC(C)CCCOCCOCCNC(C)C(F)(F)F.[H][H].
What is the InChIKey of methane;molecular hydrogen;1,1,1-trifluoro-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]propan-2-amine?
The InChIKey is FDGDYJJOSDWZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F3NO2.CH4.H2/c1-4-12(2)6-5-8-19-10-11-20-9-7-18-13(3)14(15,16)17;;/h12-13,18H,4-11H2,1-3H3;1H4;1H.
What are the key properties of methane;molecular hydrogen;1,1,1-trifluoro-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]propan-2-amine?
methane;molecular hydrogen;1,1,1-trifluoro-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]propan-2-amine has a molecular weight of 317.44 g/mol, XLogP of 4.27, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;molecular hydrogen;1,1,1-trifluoro-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]propan-2-amine is sourced from PubChem (CID 156795196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).