3,3,3-trifluoro-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(trifluoromethyl)propan-1-amine

C12H19F6NO — CID 103312354

IUPAC3,3,3-trifluoro-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(trifluoromethyl)propan-1-amine
SMILESCC1(C)CC(C(N)C(C(F)(F)F)C(F)(F)F)C(C)(C)O1
InChIInChI=1S/C12H19F6NO/c1-9(2)5-6(10(3,4)20-9)7(19)8(11(13,14)15)12(16,17)18/h6-8H,5,19H2,1-4H3
InChIKeyWWAAWTCZHCZAGF-UHFFFAOYSA-N
MW307.28 g/mol
LogP3.65
Rot. Bonds2

About 3,3,3-trifluoro-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(trifluoromethyl)propan-1-amine

3,3,3-trifluoro-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(trifluoromethyl)propan-1-amine (PubChem CID 103312354) has the molecular formula C12H19F6NO and a molecular weight of 307.28 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(trifluoromethyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(trifluoromethyl)propan-1-amine
PubChem CID103312354
Molecular FormulaC12H19F6NO
Molecular Weight307.28 g/mol
Exact Mass307.14
IUPAC Name3,3,3-trifluoro-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(trifluoromethyl)propan-1-amine
SMILESCC1(C)CC(C(N)C(C(F)(F)F)C(F)(F)F)C(C)(C)O1
InChIInChI=1S/C12H19F6NO/c1-9(2)5-6(10(3,4)20-9)7(19)8(11(13,14)15)12(16,17)18/h6-8H,5,19H2,1-4H3
InChIKeyWWAAWTCZHCZAGF-UHFFFAOYSA-N
XLogP3.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-Ethyl-2,3-difluoro-5,5-bis(trifluoromethyl)oxolan-3-yl]ethanamine
CID 156342046
1-(2,2,5,5-Tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103147952
3-(2,2-Difluoroethoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine
CID 103148800
3,3,3-trifluoro-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(trifluoromethyl)propan-1-amine
CID 103312355
[3,3,3-Trifluoro-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(trifluoromethyl)propyl]hydrazine
CID 103312928
2,2-Difluoro-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
CID 103517231
4,4,4-Trifluoro-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine
CID 104992909
2,2,2-Trifluoro-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
CID 105052775
(2,2,5,5-Tetramethyloxolan-3-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105189231
(4,4-Difluorocyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105189260
(2,2,5,5-Tetramethyloxolan-3-yl)-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 105189261
(2,2,5,5-Tetramethyloxolan-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105189293

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(trifluoromethyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(trifluoromethyl)propan-1-amine (CID 103312354) is 3,3,3-trifluoro-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(trifluoromethyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(trifluoromethyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(trifluoromethyl)propan-1-amine is CC1(C)CC(C(N)C(C(F)(F)F)C(F)(F)F)C(C)(C)O1.
What is the InChIKey of 3,3,3-trifluoro-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(trifluoromethyl)propan-1-amine?
The InChIKey is WWAAWTCZHCZAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F6NO/c1-9(2)5-6(10(3,4)20-9)7(19)8(11(13,14)15)12(16,17)18/h6-8H,5,19H2,1-4H3.
What are the key properties of 3,3,3-trifluoro-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(trifluoromethyl)propan-1-amine?
3,3,3-trifluoro-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(trifluoromethyl)propan-1-amine has a molecular weight of 307.28 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(trifluoromethyl)propan-1-amine is sourced from PubChem (CID 103312354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).