N,2-diethyl-4-(trifluoromethyl)oxan-4-amine

C10H18F3NO — CID 66204753

IUPACN,2-diethyl-4-(trifluoromethyl)oxan-4-amine
SMILESCCNC1(C(F)(F)F)CCOC(CC)C1
InChIInChI=1S/C10H18F3NO/c1-3-8-7-9(14-4-2,5-6-15-8)10(11,12)13/h8,14H,3-7H2,1-2H3
InChIKeyJXMPAEMXQKJPSV-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.49
Rot. Bonds3

About N,2-diethyl-4-(trifluoromethyl)oxan-4-amine

N,2-diethyl-4-(trifluoromethyl)oxan-4-amine (PubChem CID 66204753) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is N,2-diethyl-4-(trifluoromethyl)oxan-4-amine.

Molecular Properties

Compound NameN,2-diethyl-4-(trifluoromethyl)oxan-4-amine
PubChem CID66204753
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC NameN,2-diethyl-4-(trifluoromethyl)oxan-4-amine
SMILESCCNC1(C(F)(F)F)CCOC(CC)C1
InChIInChI=1S/C10H18F3NO/c1-3-8-7-9(14-4-2,5-6-15-8)10(11,12)13/h8,14H,3-7H2,1-2H3
InChIKeyJXMPAEMXQKJPSV-UHFFFAOYSA-N
XLogP2.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.49
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
N-[[6-(trifluoromethyl)oxan-3-yl]methyl]ethanamine
CID 156872224
N,1-dimethyl-4-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 167021574
2-[2-[(4,4-difluorocyclohexyl)amino]propyl]-N-methyl-4-(trifluoromethyl)oxan-4-amine
CID 169587954
4-(Difluoromethoxy)-2-propan-2-ylpiperidine
CID 170772139
1-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 61872803
2-methyl-N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine
CID 62110580
N-tert-butyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62528345
N-tert-butyl-4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
CID 62530713
4,4,4-trifluoro-1-(oxan-4-yl)-N-propylbutan-2-amine
CID 62604640
N-ethyl-4,4,4-trifluoro-1-(oxan-4-yl)butan-2-amine
CID 62605539
N-tert-butyl-2-methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62724219

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-4-(trifluoromethyl)oxan-4-amine?
The IUPAC name of N,2-diethyl-4-(trifluoromethyl)oxan-4-amine (CID 66204753) is N,2-diethyl-4-(trifluoromethyl)oxan-4-amine.
What is the SMILES notation for N,2-diethyl-4-(trifluoromethyl)oxan-4-amine?
The canonical SMILES for N,2-diethyl-4-(trifluoromethyl)oxan-4-amine is CCNC1(C(F)(F)F)CCOC(CC)C1.
What is the InChIKey of N,2-diethyl-4-(trifluoromethyl)oxan-4-amine?
The InChIKey is JXMPAEMXQKJPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-3-8-7-9(14-4-2,5-6-15-8)10(11,12)13/h8,14H,3-7H2,1-2H3.
What are the key properties of N,2-diethyl-4-(trifluoromethyl)oxan-4-amine?
N,2-diethyl-4-(trifluoromethyl)oxan-4-amine has a molecular weight of 225.25 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-4-(trifluoromethyl)oxan-4-amine is sourced from PubChem (CID 66204753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).