2,2,2-trifluoro-N-[2-(3-propyloxiran-2-yl)ethyl]ethanamine

C9H16F3NO — CID 162548883

IUPAC2,2,2-trifluoro-N-[2-(3-propyloxiran-2-yl)ethyl]ethanamine
SMILESCCCC1OC1CCNCC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-2-3-7-8(14-7)4-5-13-6-9(10,11)12/h7-8,13H,2-6H2,1H3
InChIKeySCCDWKCJJXOSNW-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.10
Rot. Bonds6

About 2,2,2-trifluoro-N-[2-(3-propyloxiran-2-yl)ethyl]ethanamine

2,2,2-trifluoro-N-[2-(3-propyloxiran-2-yl)ethyl]ethanamine (PubChem CID 162548883) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(3-propyloxiran-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(3-propyloxiran-2-yl)ethyl]ethanamine
PubChem CID162548883
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name2,2,2-trifluoro-N-[2-(3-propyloxiran-2-yl)ethyl]ethanamine
SMILESCCCC1OC1CCNCC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-2-3-7-8(14-7)4-5-13-6-9(10,11)12/h7-8,13H,2-6H2,1H3
InChIKeySCCDWKCJJXOSNW-UHFFFAOYSA-N
XLogP2.10
TPSA24.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-(4,4,4-trifluorobutoxy)pentan-1-amine
CID 142009793
N-methyl-4-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62445978
N-ethyl-4-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62445979
N-propyl-4-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62446164
N-ethyl-4-(2,2,3,3-tetrafluoropropoxy)pentan-1-amine
CID 62455814
N-propyl-4-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine
CID 66274458
N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-amine
CID 66275766
N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-amine
CID 66275961
N-ethyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-amine
CID 66275962
N-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine
CID 66275971
4-(1,1,1-Trifluoropropan-2-yloxy)azepane
CID 66275978
N-ethyl-4-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine
CID 66276399

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(3-propyloxiran-2-yl)ethyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[2-(3-propyloxiran-2-yl)ethyl]ethanamine (CID 162548883) is 2,2,2-trifluoro-N-[2-(3-propyloxiran-2-yl)ethyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(3-propyloxiran-2-yl)ethyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(3-propyloxiran-2-yl)ethyl]ethanamine is CCCC1OC1CCNCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(3-propyloxiran-2-yl)ethyl]ethanamine?
The InChIKey is SCCDWKCJJXOSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-2-3-7-8(14-7)4-5-13-6-9(10,11)12/h7-8,13H,2-6H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[2-(3-propyloxiran-2-yl)ethyl]ethanamine?
2,2,2-trifluoro-N-[2-(3-propyloxiran-2-yl)ethyl]ethanamine has a molecular weight of 211.23 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(3-propyloxiran-2-yl)ethyl]ethanamine is sourced from PubChem (CID 162548883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).