2-hexoxy-N-(2,2,2-trifluoroethyl)propan-1-amine

C11H22F3NO — CID 62598311

IUPAC2-hexoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCCCCOC(C)CNCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-3-4-5-6-7-16-10(2)8-15-9-11(12,13)14/h10,15H,3-9H2,1-2H3
InChIKeyWBRRYRBZNWKSLC-UHFFFAOYSA-N
MW241.30 g/mol
LogP3.12
Rot. Bonds9

About 2-hexoxy-N-(2,2,2-trifluoroethyl)propan-1-amine

2-hexoxy-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 62598311) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 2-hexoxy-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-hexoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID62598311
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name2-hexoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCCCCOC(C)CNCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-3-4-5-6-7-16-10(2)8-15-9-11(12,13)14/h10,15H,3-9H2,1-2H3
InChIKeyWBRRYRBZNWKSLC-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hexoxypropyl)butan-1-amine
CID 62599346
2-(2-methoxyethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62567457
N-[2-(3,3,3-trifluoropropoxy)propyl]pentan-1-amine
CID 82959356
2-(2-ethylhexoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62598118
2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 112590123
2-hexoxy-N-prop-2-ynylpropan-1-amine
CID 62599532
2-methyl-N-(2,2,2-trifluoroethyl)decan-1-amine
CID 114899272
2-(2-methylpentoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 103285826
N-propyl-2-(4,4,4-trifluorobutoxy)propan-1-amine
CID 82792300
2-heptoxy-N-(3-methoxypropyl)propan-1-amine
CID 62597976
2-butoxy-N-ethylpropan-1-amine
CID 62449884
N-[2-(2,2,2-trifluoroethoxy)propyl]butan-1-amine
CID 62567250

Frequently Asked Questions

What is the IUPAC name of 2-hexoxy-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-hexoxy-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 62598311) is 2-hexoxy-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-hexoxy-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-hexoxy-N-(2,2,2-trifluoroethyl)propan-1-amine is CCCCCCOC(C)CNCC(F)(F)F.
What is the InChIKey of 2-hexoxy-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is WBRRYRBZNWKSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-3-4-5-6-7-16-10(2)8-15-9-11(12,13)14/h10,15H,3-9H2,1-2H3.
What are the key properties of 2-hexoxy-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-hexoxy-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 241.30 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexoxy-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 62598311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).