3,3,3-trifluoro-2-octan-2-yloxypropan-1-amine

C11H22F3NO — CID 43752954

IUPAC3,3,3-trifluoro-2-octan-2-yloxypropan-1-amine
SMILESCCCCCCC(C)OC(CN)C(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-3-4-5-6-7-9(2)16-10(8-15)11(12,13)14/h9-10H,3-8,15H2,1-2H3
InChIKeyHVNKGAGZPQKFIZ-UHFFFAOYSA-N
MW241.30 g/mol
LogP3.25
Rot. Bonds8

About 3,3,3-trifluoro-2-octan-2-yloxypropan-1-amine

3,3,3-trifluoro-2-octan-2-yloxypropan-1-amine (PubChem CID 43752954) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-octan-2-yloxypropan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-octan-2-yloxypropan-1-amine
PubChem CID43752954
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name3,3,3-trifluoro-2-octan-2-yloxypropan-1-amine
SMILESCCCCCCC(C)OC(CN)C(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-3-4-5-6-7-9(2)16-10(8-15)11(12,13)14/h9-10H,3-8,15H2,1-2H3
InChIKeyHVNKGAGZPQKFIZ-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
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

2-(Dodecyloxy)ethan-1-amine
CID 18672799
2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecoxy)ethanamine
CID 12151685
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,8,9,10,10-Heptadecafluorodecoxy)ethanamine
CID 87948492
2-(2,2,3,3,4,4,5,5-Octafluorododecoxy)ethanamine
CID 121403424
2-(1-Fluorodecoxy)ethanamine
CID 149637429
(1R)-1-(4,4-Difluorotetrahydro-2H-pyran-2-yl)propan-1-amine
CID 164536563
1-(4,4-Difluorooxan-2-yl)propan-1-amine
CID 167116977
(2S)-1-(11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-heptadecafluorooctadecoxy)propan-2-amine
CID 10651666
2-(2,2,2-Trifluoroethoxy)cyclooctan-1-amine
CID 16793881
2-Cyclohexyloxy-3,3,3-trifluoropropan-1-amine
CID 43752844
3,3,3-Trifluoro-2-heptoxypropan-1-amine
CID 43752955
2-(2-Ethylhexoxy)-3,3,3-trifluoropropan-1-amine
CID 43752959

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-octan-2-yloxypropan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-octan-2-yloxypropan-1-amine (CID 43752954) is 3,3,3-trifluoro-2-octan-2-yloxypropan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-octan-2-yloxypropan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-octan-2-yloxypropan-1-amine is CCCCCCC(C)OC(CN)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-octan-2-yloxypropan-1-amine?
The InChIKey is HVNKGAGZPQKFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-3-4-5-6-7-9(2)16-10(8-15)11(12,13)14/h9-10H,3-8,15H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-2-octan-2-yloxypropan-1-amine?
3,3,3-trifluoro-2-octan-2-yloxypropan-1-amine has a molecular weight of 241.30 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-octan-2-yloxypropan-1-amine is sourced from PubChem (CID 43752954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).