3,3,3-trifluoro-1-(oxolan-3-yl)-N-propyl-2-(trifluoromethyl)propan-1-amine

C11H17F6NO — CID 103311934

IUPAC3,3,3-trifluoro-1-(oxolan-3-yl)-N-propyl-2-(trifluoromethyl)propan-1-amine
SMILESCCCNC(C1CCOC1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H17F6NO/c1-2-4-18-8(7-3-5-19-6-7)9(10(12,13)14)11(15,16)17/h7-9,18H,2-6H2,1H3
InChIKeyGMFVIVOZCAURCU-UHFFFAOYSA-N
MW293.25 g/mol
LogP3.13
Rot. Bonds5

About 3,3,3-trifluoro-1-(oxolan-3-yl)-N-propyl-2-(trifluoromethyl)propan-1-amine

3,3,3-trifluoro-1-(oxolan-3-yl)-N-propyl-2-(trifluoromethyl)propan-1-amine (PubChem CID 103311934) has the molecular formula C11H17F6NO and a molecular weight of 293.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(oxolan-3-yl)-N-propyl-2-(trifluoromethyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(oxolan-3-yl)-N-propyl-2-(trifluoromethyl)propan-1-amine
PubChem CID103311934
Molecular FormulaC11H17F6NO
Molecular Weight293.25 g/mol
Exact Mass293.12
IUPAC Name3,3,3-trifluoro-1-(oxolan-3-yl)-N-propyl-2-(trifluoromethyl)propan-1-amine
SMILESCCCNC(C1CCOC1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H17F6NO/c1-2-4-18-8(7-3-5-19-6-7)9(10(12,13)14)11(15,16)17/h7-9,18H,2-6H2,1H3
InChIKeyGMFVIVOZCAURCU-UHFFFAOYSA-N
XLogP3.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-methyl-1-(oxolan-3-yl)ethanamine
CID 55282487
(2S)-4-(1-fluoroethoxymethyl)-2-propan-2-ylpyrrolidine
CID 132093745
N-[2,2,2-trifluoro-1-(oxolan-3-yl)ethyl]propan-2-amine
CID 166470499
N-[(3R)-3-fluorobutan-2-yl]-2-methyl-1-(oxan-4-yl)propan-1-amine
CID 173964280
N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 54962221
N-tert-butyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
CID 55083389
N-ethyl-2,2-dimethyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 55090935
1-cyclopentyl-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 55094981
N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 61490289
2,2-dimethyl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 61490775
N,2-dimethyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 61490817
N-ethyl-2-methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 61490818

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(oxolan-3-yl)-N-propyl-2-(trifluoromethyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-(oxolan-3-yl)-N-propyl-2-(trifluoromethyl)propan-1-amine (CID 103311934) is 3,3,3-trifluoro-1-(oxolan-3-yl)-N-propyl-2-(trifluoromethyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-(oxolan-3-yl)-N-propyl-2-(trifluoromethyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-(oxolan-3-yl)-N-propyl-2-(trifluoromethyl)propan-1-amine is CCCNC(C1CCOC1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-1-(oxolan-3-yl)-N-propyl-2-(trifluoromethyl)propan-1-amine?
The InChIKey is GMFVIVOZCAURCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F6NO/c1-2-4-18-8(7-3-5-19-6-7)9(10(12,13)14)11(15,16)17/h7-9,18H,2-6H2,1H3.
What are the key properties of 3,3,3-trifluoro-1-(oxolan-3-yl)-N-propyl-2-(trifluoromethyl)propan-1-amine?
3,3,3-trifluoro-1-(oxolan-3-yl)-N-propyl-2-(trifluoromethyl)propan-1-amine has a molecular weight of 293.25 g/mol, XLogP of 3.13, 5 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-(oxolan-3-yl)-N-propyl-2-(trifluoromethyl)propan-1-amine is sourced from PubChem (CID 103311934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).