2-propan-2-yl-N-propyl-4-(trifluoromethyl)oxan-4-amine

C12H22F3NO — CID 66205187

IUPAC2-propan-2-yl-N-propyl-4-(trifluoromethyl)oxan-4-amine
SMILESCCCNC1(C(F)(F)F)CCOC(C(C)C)C1
InChIInChI=1S/C12H22F3NO/c1-4-6-16-11(12(13,14)15)5-7-17-10(8-11)9(2)3/h9-10,16H,4-8H2,1-3H3
InChIKeyZQSCMOQKNLPZQM-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.12
Rot. Bonds4

About 2-propan-2-yl-N-propyl-4-(trifluoromethyl)oxan-4-amine

2-propan-2-yl-N-propyl-4-(trifluoromethyl)oxan-4-amine (PubChem CID 66205187) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-propan-2-yl-N-propyl-4-(trifluoromethyl)oxan-4-amine.

Molecular Properties

Compound Name2-propan-2-yl-N-propyl-4-(trifluoromethyl)oxan-4-amine
PubChem CID66205187
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name2-propan-2-yl-N-propyl-4-(trifluoromethyl)oxan-4-amine
SMILESCCCNC1(C(F)(F)F)CCOC(C(C)C)C1
InChIInChI=1S/C12H22F3NO/c1-4-6-16-11(12(13,14)15)5-7-17-10(8-11)9(2)3/h9-10,16H,4-8H2,1-3H3
InChIKeyZQSCMOQKNLPZQM-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]oxan-4-amine
CID 75445090
2-cyclopropyl-N-[3-(trifluoromethyl)cyclohexyl]oxan-4-amine
CID 121523407
4-[5-(2,2,2-Trifluoroethoxy)pentyl]piperidine
CID 142825207
4-[4-(4,4,4-Trifluorobutoxy)butyl]piperidine
CID 143045350
N-butyl-5,5-difluoro-6-methoxy-4,7-dimethyloctan-1-amine
CID 146228722
N-[[6-(trifluoromethyl)oxan-3-yl]methyl]ethanamine
CID 156872224
2-[2-[(4,4-difluorocyclohexyl)amino]propyl]-N-methyl-4-(trifluoromethyl)oxan-4-amine
CID 169587954
4-(Difluoromethoxy)-2-propan-2-ylpiperidine
CID 170772139
4-methyl-N-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
CID 55083489
N-ethyl-4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
CID 55084137
N-ethyl-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 55095373
6-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 55095421

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N-propyl-4-(trifluoromethyl)oxan-4-amine?
The IUPAC name of 2-propan-2-yl-N-propyl-4-(trifluoromethyl)oxan-4-amine (CID 66205187) is 2-propan-2-yl-N-propyl-4-(trifluoromethyl)oxan-4-amine.
What is the SMILES notation for 2-propan-2-yl-N-propyl-4-(trifluoromethyl)oxan-4-amine?
The canonical SMILES for 2-propan-2-yl-N-propyl-4-(trifluoromethyl)oxan-4-amine is CCCNC1(C(F)(F)F)CCOC(C(C)C)C1.
What is the InChIKey of 2-propan-2-yl-N-propyl-4-(trifluoromethyl)oxan-4-amine?
The InChIKey is ZQSCMOQKNLPZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-4-6-16-11(12(13,14)15)5-7-17-10(8-11)9(2)3/h9-10,16H,4-8H2,1-3H3.
What are the key properties of 2-propan-2-yl-N-propyl-4-(trifluoromethyl)oxan-4-amine?
2-propan-2-yl-N-propyl-4-(trifluoromethyl)oxan-4-amine has a molecular weight of 253.31 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N-propyl-4-(trifluoromethyl)oxan-4-amine is sourced from PubChem (CID 66205187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).