N-methyl-N-[2-(trifluoromethoxy)ethyl]heptan-3-amine

C11H22F3NO — CID 143141507

IUPACN-methyl-N-[2-(trifluoromethoxy)ethyl]heptan-3-amine
SMILESCCCCC(CC)N(C)CCOC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-4-6-7-10(5-2)15(3)8-9-16-11(12,13)14/h10H,4-9H2,1-3H3
InChIKeyLCIRMERLMWDPGY-UHFFFAOYSA-N
MW241.30 g/mol
LogP3.42
Rot. Bonds8

About N-methyl-N-[2-(trifluoromethoxy)ethyl]heptan-3-amine

N-methyl-N-[2-(trifluoromethoxy)ethyl]heptan-3-amine (PubChem CID 143141507) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is N-methyl-N-[2-(trifluoromethoxy)ethyl]heptan-3-amine.

Molecular Properties

Compound NameN-methyl-N-[2-(trifluoromethoxy)ethyl]heptan-3-amine
PubChem CID143141507
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC NameN-methyl-N-[2-(trifluoromethoxy)ethyl]heptan-3-amine
SMILESCCCCC(CC)N(C)CCOC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-4-6-7-10(5-2)15(3)8-9-16-11(12,13)14/h10H,4-9H2,1-3H3
InChIKeyLCIRMERLMWDPGY-UHFFFAOYSA-N
XLogP3.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(trifluoromethoxy)ethyl]heptan-3-amine?
The IUPAC name of N-methyl-N-[2-(trifluoromethoxy)ethyl]heptan-3-amine (CID 143141507) is N-methyl-N-[2-(trifluoromethoxy)ethyl]heptan-3-amine.
What is the SMILES notation for N-methyl-N-[2-(trifluoromethoxy)ethyl]heptan-3-amine?
The canonical SMILES for N-methyl-N-[2-(trifluoromethoxy)ethyl]heptan-3-amine is CCCCC(CC)N(C)CCOC(F)(F)F.
What is the InChIKey of N-methyl-N-[2-(trifluoromethoxy)ethyl]heptan-3-amine?
The InChIKey is LCIRMERLMWDPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-4-6-7-10(5-2)15(3)8-9-16-11(12,13)14/h10H,4-9H2,1-3H3.
What are the key properties of N-methyl-N-[2-(trifluoromethoxy)ethyl]heptan-3-amine?
N-methyl-N-[2-(trifluoromethoxy)ethyl]heptan-3-amine has a molecular weight of 241.30 g/mol, XLogP of 3.42, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(trifluoromethoxy)ethyl]heptan-3-amine is sourced from PubChem (CID 143141507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).