N-ethyl-1,1,1-trifluoro-5-methoxy-5-methylheptan-4-amine

C11H22F3NO — CID 116757946

IUPACN-ethyl-1,1,1-trifluoro-5-methoxy-5-methylheptan-4-amine
SMILESCCNC(CCC(F)(F)F)C(C)(CC)OC
InChIInChI=1S/C11H22F3NO/c1-5-10(3,16-4)9(15-6-2)7-8-11(12,13)14/h9,15H,5-8H2,1-4H3
InChIKeySOAAHJBCAGXMSN-UHFFFAOYSA-N
MW241.30 g/mol
LogP3.12
Rot. Bonds7

About N-ethyl-1,1,1-trifluoro-5-methoxy-5-methylheptan-4-amine

N-ethyl-1,1,1-trifluoro-5-methoxy-5-methylheptan-4-amine (PubChem CID 116757946) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is N-ethyl-1,1,1-trifluoro-5-methoxy-5-methylheptan-4-amine.

Molecular Properties

Compound NameN-ethyl-1,1,1-trifluoro-5-methoxy-5-methylheptan-4-amine
PubChem CID116757946
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC NameN-ethyl-1,1,1-trifluoro-5-methoxy-5-methylheptan-4-amine
SMILESCCNC(CCC(F)(F)F)C(C)(CC)OC
InChIInChI=1S/C11H22F3NO/c1-5-10(3,16-4)9(15-6-2)7-8-11(12,13)14/h9,15H,5-8H2,1-4H3
InChIKeySOAAHJBCAGXMSN-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1,1-trifluoro-5-methoxy-5-methylheptan-4-amine?
The IUPAC name of N-ethyl-1,1,1-trifluoro-5-methoxy-5-methylheptan-4-amine (CID 116757946) is N-ethyl-1,1,1-trifluoro-5-methoxy-5-methylheptan-4-amine.
What is the SMILES notation for N-ethyl-1,1,1-trifluoro-5-methoxy-5-methylheptan-4-amine?
The canonical SMILES for N-ethyl-1,1,1-trifluoro-5-methoxy-5-methylheptan-4-amine is CCNC(CCC(F)(F)F)C(C)(CC)OC.
What is the InChIKey of N-ethyl-1,1,1-trifluoro-5-methoxy-5-methylheptan-4-amine?
The InChIKey is SOAAHJBCAGXMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-5-10(3,16-4)9(15-6-2)7-8-11(12,13)14/h9,15H,5-8H2,1-4H3.
What are the key properties of N-ethyl-1,1,1-trifluoro-5-methoxy-5-methylheptan-4-amine?
N-ethyl-1,1,1-trifluoro-5-methoxy-5-methylheptan-4-amine has a molecular weight of 241.30 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1,1-trifluoro-5-methoxy-5-methylheptan-4-amine is sourced from PubChem (CID 116757946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).