6,6,6-trifluoro-2-N,2-dimethyl-2-N-(2-methyloxolan-3-yl)hexane-1,2-diamine

C13H25F3N2O — CID 116535398

IUPAC6,6,6-trifluoro-2-N,2-dimethyl-2-N-(2-methyloxolan-3-yl)hexane-1,2-diamine
SMILESCC1OCCC1N(C)C(C)(CN)CCCC(F)(F)F
InChIInChI=1S/C13H25F3N2O/c1-10-11(5-8-19-10)18(3)12(2,9-17)6-4-7-13(14,15)16/h10-11H,4-9,17H2,1-3H3
InChIKeyMSUFLUQRTWQECY-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.55
Rot. Bonds6

About 6,6,6-trifluoro-2-N,2-dimethyl-2-N-(2-methyloxolan-3-yl)hexane-1,2-diamine

6,6,6-trifluoro-2-N,2-dimethyl-2-N-(2-methyloxolan-3-yl)hexane-1,2-diamine (PubChem CID 116535398) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-N,2-dimethyl-2-N-(2-methyloxolan-3-yl)hexane-1,2-diamine.

Molecular Properties

Compound Name6,6,6-trifluoro-2-N,2-dimethyl-2-N-(2-methyloxolan-3-yl)hexane-1,2-diamine
PubChem CID116535398
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC Name6,6,6-trifluoro-2-N,2-dimethyl-2-N-(2-methyloxolan-3-yl)hexane-1,2-diamine
SMILESCC1OCCC1N(C)C(C)(CN)CCCC(F)(F)F
InChIInChI=1S/C13H25F3N2O/c1-10-11(5-8-19-10)18(3)12(2,9-17)6-4-7-13(14,15)16/h10-11H,4-9,17H2,1-3H3
InChIKeyMSUFLUQRTWQECY-UHFFFAOYSA-N
XLogP2.55
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-1,2-di(propan-2-yl)-4-(2,2,2-trifluoroethoxy)pyrrolidine
CID 68089705
(2S)-1,2-di(propan-2-yl)-4-(2,2,2-trifluoroethoxy)pyrrolidine
CID 146518179
(4S)-1-methyl-2-propan-2-yl-4-(4,4,4-trifluorobutoxy)pyrrolidine
CID 162730744
1-Methyl-2-propan-2-yl-4-(2,2,2-trifluoroethoxy)pyrrolidine
CID 164138405
3,3,3-trifluoro-2-N-methyl-2-N-(oxolan-2-ylmethyl)propane-1,2-diamine
CID 61431403
2-N-ethyl-3,3,3-trifluoro-2-N-(oxolan-2-ylmethyl)propane-1,2-diamine
CID 61433553
1,1,1-trifluoro-2-N-methyl-2-N-(oxolan-2-ylmethyl)butane-2,3-diamine
CID 61648143
1,1,1-trifluoro-2-N-methyl-2-N-(oxolan-2-ylmethyl)pentane-2,3-diamine
CID 61648144
2-N-ethyl-1,1,1-trifluoro-2-N-(oxolan-2-ylmethyl)butane-2,3-diamine
CID 61648247
2-N-ethyl-1,1,1-trifluoro-2-N-(oxolan-2-ylmethyl)pentane-2,3-diamine
CID 61648248
1-(aminomethyl)-N-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 62008736
1-(aminomethyl)-N-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 62008940

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-2-N,2-dimethyl-2-N-(2-methyloxolan-3-yl)hexane-1,2-diamine?
The IUPAC name of 6,6,6-trifluoro-2-N,2-dimethyl-2-N-(2-methyloxolan-3-yl)hexane-1,2-diamine (CID 116535398) is 6,6,6-trifluoro-2-N,2-dimethyl-2-N-(2-methyloxolan-3-yl)hexane-1,2-diamine.
What is the SMILES notation for 6,6,6-trifluoro-2-N,2-dimethyl-2-N-(2-methyloxolan-3-yl)hexane-1,2-diamine?
The canonical SMILES for 6,6,6-trifluoro-2-N,2-dimethyl-2-N-(2-methyloxolan-3-yl)hexane-1,2-diamine is CC1OCCC1N(C)C(C)(CN)CCCC(F)(F)F.
What is the InChIKey of 6,6,6-trifluoro-2-N,2-dimethyl-2-N-(2-methyloxolan-3-yl)hexane-1,2-diamine?
The InChIKey is MSUFLUQRTWQECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-10-11(5-8-19-10)18(3)12(2,9-17)6-4-7-13(14,15)16/h10-11H,4-9,17H2,1-3H3.
What are the key properties of 6,6,6-trifluoro-2-N,2-dimethyl-2-N-(2-methyloxolan-3-yl)hexane-1,2-diamine?
6,6,6-trifluoro-2-N,2-dimethyl-2-N-(2-methyloxolan-3-yl)hexane-1,2-diamine has a molecular weight of 282.35 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-2-N,2-dimethyl-2-N-(2-methyloxolan-3-yl)hexane-1,2-diamine is sourced from PubChem (CID 116535398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).