1,1,1-trifluoro-2-(2-methylpentoxy)pentan-3-amine

C11H22F3NO — CID 103283124

IUPAC1,1,1-trifluoro-2-(2-methylpentoxy)pentan-3-amine
SMILESCCCC(C)COC(C(N)CC)C(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-4-6-8(3)7-16-10(9(15)5-2)11(12,13)14/h8-10H,4-7,15H2,1-3H3
InChIKeyYRPRSPJFPOWESE-UHFFFAOYSA-N
MW241.30 g/mol
LogP3.11
Rot. Bonds7

About 1,1,1-trifluoro-2-(2-methylpentoxy)pentan-3-amine

1,1,1-trifluoro-2-(2-methylpentoxy)pentan-3-amine (PubChem CID 103283124) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(2-methylpentoxy)pentan-3-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(2-methylpentoxy)pentan-3-amine
PubChem CID103283124
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name1,1,1-trifluoro-2-(2-methylpentoxy)pentan-3-amine
SMILESCCCC(C)COC(C(N)CC)C(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-4-6-8(3)7-16-10(9(15)5-2)11(12,13)14/h8-10H,4-7,15H2,1-3H3
InChIKeyYRPRSPJFPOWESE-UHFFFAOYSA-N
XLogP3.11
TPSA35.25 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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(2-methylpentoxy)pentan-3-amine?
The IUPAC name of 1,1,1-trifluoro-2-(2-methylpentoxy)pentan-3-amine (CID 103283124) is 1,1,1-trifluoro-2-(2-methylpentoxy)pentan-3-amine.
What is the SMILES notation for 1,1,1-trifluoro-2-(2-methylpentoxy)pentan-3-amine?
The canonical SMILES for 1,1,1-trifluoro-2-(2-methylpentoxy)pentan-3-amine is CCCC(C)COC(C(N)CC)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(2-methylpentoxy)pentan-3-amine?
The InChIKey is YRPRSPJFPOWESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-4-6-8(3)7-16-10(9(15)5-2)11(12,13)14/h8-10H,4-7,15H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-2-(2-methylpentoxy)pentan-3-amine?
1,1,1-trifluoro-2-(2-methylpentoxy)pentan-3-amine has a molecular weight of 241.30 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(2-methylpentoxy)pentan-3-amine is sourced from PubChem (CID 103283124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).