4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine

C11H22F3NO — CID 62505704

IUPAC4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
SMILESCC(C)CC(CN)CCCOCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-9(2)6-10(7-15)4-3-5-16-8-11(12,13)14/h9-10H,3-8,15H2,1-2H3
InChIKeyOJAJYRPINVYGDP-UHFFFAOYSA-N
MW241.30 g/mol
LogP2.97
Rot. Bonds8

About 4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine

4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine (PubChem CID 62505704) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine.

Molecular Properties

Compound Name4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
PubChem CID62505704
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
SMILESCC(C)CC(CN)CCCOCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-9(2)6-10(7-15)4-3-5-16-8-11(12,13)14/h9-10H,3-8,15H2,1-2H3
InChIKeyOJAJYRPINVYGDP-UHFFFAOYSA-N
XLogP2.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine?
The IUPAC name of 4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine (CID 62505704) is 4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine.
What is the SMILES notation for 4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine?
The canonical SMILES for 4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine is CC(C)CC(CN)CCCOCC(F)(F)F.
What is the InChIKey of 4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine?
The InChIKey is OJAJYRPINVYGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-9(2)6-10(7-15)4-3-5-16-8-11(12,13)14/h9-10H,3-8,15H2,1-2H3.
What are the key properties of 4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine?
4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine has a molecular weight of 241.30 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine is sourced from PubChem (CID 62505704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).