N-ethyl-7,7,7-trifluoro-2-methoxyheptan-3-amine

C10H20F3NO — CID 115517344

IUPACN-ethyl-7,7,7-trifluoro-2-methoxyheptan-3-amine
SMILESCCNC(CCCC(F)(F)F)C(C)OC
InChIInChI=1S/C10H20F3NO/c1-4-14-9(8(2)15-3)6-5-7-10(11,12)13/h8-9,14H,4-7H2,1-3H3
InChIKeyCLOYYKANCALWMO-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.73
Rot. Bonds7

About N-ethyl-7,7,7-trifluoro-2-methoxyheptan-3-amine

N-ethyl-7,7,7-trifluoro-2-methoxyheptan-3-amine (PubChem CID 115517344) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is N-ethyl-7,7,7-trifluoro-2-methoxyheptan-3-amine.

Molecular Properties

Compound NameN-ethyl-7,7,7-trifluoro-2-methoxyheptan-3-amine
PubChem CID115517344
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC NameN-ethyl-7,7,7-trifluoro-2-methoxyheptan-3-amine
SMILESCCNC(CCCC(F)(F)F)C(C)OC
InChIInChI=1S/C10H20F3NO/c1-4-14-9(8(2)15-3)6-5-7-10(11,12)13/h8-9,14H,4-7H2,1-3H3
InChIKeyCLOYYKANCALWMO-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-7,7,7-trifluoro-2-methoxyheptan-3-amine?
The IUPAC name of N-ethyl-7,7,7-trifluoro-2-methoxyheptan-3-amine (CID 115517344) is N-ethyl-7,7,7-trifluoro-2-methoxyheptan-3-amine.
What is the SMILES notation for N-ethyl-7,7,7-trifluoro-2-methoxyheptan-3-amine?
The canonical SMILES for N-ethyl-7,7,7-trifluoro-2-methoxyheptan-3-amine is CCNC(CCCC(F)(F)F)C(C)OC.
What is the InChIKey of N-ethyl-7,7,7-trifluoro-2-methoxyheptan-3-amine?
The InChIKey is CLOYYKANCALWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-4-14-9(8(2)15-3)6-5-7-10(11,12)13/h8-9,14H,4-7H2,1-3H3.
What are the key properties of N-ethyl-7,7,7-trifluoro-2-methoxyheptan-3-amine?
N-ethyl-7,7,7-trifluoro-2-methoxyheptan-3-amine has a molecular weight of 227.27 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7,7,7-trifluoro-2-methoxyheptan-3-amine is sourced from PubChem (CID 115517344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).