N-ethyl-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-2-amine

C12H24F3NO — CID 103216110

IUPACN-ethyl-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-2-amine
SMILESCCNC(CCCC(C)C)COCC(F)(F)F
InChIInChI=1S/C12H24F3NO/c1-4-16-11(7-5-6-10(2)3)8-17-9-12(13,14)15/h10-11,16H,4-9H2,1-3H3
InChIKeyGYSOBGWWGRQDIV-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.37
Rot. Bonds9

About N-ethyl-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-2-amine

N-ethyl-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-2-amine (PubChem CID 103216110) has the molecular formula C12H24F3NO and a molecular weight of 255.32 g/mol. Its IUPAC name is N-ethyl-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-2-amine.

Molecular Properties

Compound NameN-ethyl-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-2-amine
PubChem CID103216110
Molecular FormulaC12H24F3NO
Molecular Weight255.32 g/mol
Exact Mass255.18
IUPAC NameN-ethyl-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-2-amine
SMILESCCNC(CCCC(C)C)COCC(F)(F)F
InChIInChI=1S/C12H24F3NO/c1-4-16-11(7-5-6-10(2)3)8-17-9-12(13,14)15/h10-11,16H,4-9H2,1-3H3
InChIKeyGYSOBGWWGRQDIV-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-2-amine?
The IUPAC name of N-ethyl-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-2-amine (CID 103216110) is N-ethyl-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-2-amine.
What is the SMILES notation for N-ethyl-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-2-amine?
The canonical SMILES for N-ethyl-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-2-amine is CCNC(CCCC(C)C)COCC(F)(F)F.
What is the InChIKey of N-ethyl-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-2-amine?
The InChIKey is GYSOBGWWGRQDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NO/c1-4-16-11(7-5-6-10(2)3)8-17-9-12(13,14)15/h10-11,16H,4-9H2,1-3H3.
What are the key properties of N-ethyl-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-2-amine?
N-ethyl-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-2-amine has a molecular weight of 255.32 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-2-amine is sourced from PubChem (CID 103216110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).