6,6,6-trifluoro-2-methyl-2-morpholin-4-ylhexanenitrile

C11H17F3N2O — CID 116536039

IUPAC6,6,6-trifluoro-2-methyl-2-morpholin-4-ylhexanenitrile
SMILESCC(C#N)(CCCC(F)(F)F)N1CCOCC1
InChIInChI=1S/C11H17F3N2O/c1-10(9-15,3-2-4-11(12,13)14)16-5-7-17-8-6-16/h2-8H2,1H3
InChIKeyBRFYRLAUWUYJJZ-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.33
Rot. Bonds4

About 6,6,6-trifluoro-2-methyl-2-morpholin-4-ylhexanenitrile

6,6,6-trifluoro-2-methyl-2-morpholin-4-ylhexanenitrile (PubChem CID 116536039) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-methyl-2-morpholin-4-ylhexanenitrile.

Molecular Properties

Compound Name6,6,6-trifluoro-2-methyl-2-morpholin-4-ylhexanenitrile
PubChem CID116536039
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name6,6,6-trifluoro-2-methyl-2-morpholin-4-ylhexanenitrile
SMILESCC(C#N)(CCCC(F)(F)F)N1CCOCC1
InChIInChI=1S/C11H17F3N2O/c1-10(9-15,3-2-4-11(12,13)14)16-5-7-17-8-6-16/h2-8H2,1H3
InChIKeyBRFYRLAUWUYJJZ-UHFFFAOYSA-N
XLogP2.33
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Morpholin-4-yl)cyclopentane-1-carbonitrile
CID 16644595
3-Fluoro-4-methyl-2-morpholin-4-ylpentanenitrile
CID 46894405
2-Fluoro-1-morpholin-4-ylcyclohexane-1-carbonitrile
CID 75229714
cis-(1R,2R)-2-fluoro-1-morpholin-4-ylcyclohexane-1-carbonitrile
CID 168327546
4,4-Difluoro-1-morpholin-4-ylcyclohexane-1-carbonitrile
CID 117737864
4-Fluoro-4-methyl-1-morpholin-4-ylcyclohexane-1-carbonitrile
CID 145559770
4-Methyl-2-morpholino-2-cyanopentane
CID 43802979
7-Methyl-7-morpholin-4-ylundec-5-ynedinitrile
CID 102227967
cis-(1S,2S)-2-fluoro-1-morpholin-4-ylcyclohexane-1-carbonitrile
CID 46894283
1-[2-(2,2,2-Trifluoroethoxy)ethyl]piperidine-4-carbonitrile
CID 62075507
2,2-Difluoro-2-(1-morpholin-4-ylcyclohexyl)acetonitrile
CID 62707093
1-[2-(2,2,2-Trifluoroethoxy)ethyl]piperidine-2-carbonitrile
CID 64414756

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-2-methyl-2-morpholin-4-ylhexanenitrile?
The IUPAC name of 6,6,6-trifluoro-2-methyl-2-morpholin-4-ylhexanenitrile (CID 116536039) is 6,6,6-trifluoro-2-methyl-2-morpholin-4-ylhexanenitrile.
What is the SMILES notation for 6,6,6-trifluoro-2-methyl-2-morpholin-4-ylhexanenitrile?
The canonical SMILES for 6,6,6-trifluoro-2-methyl-2-morpholin-4-ylhexanenitrile is CC(C#N)(CCCC(F)(F)F)N1CCOCC1.
What is the InChIKey of 6,6,6-trifluoro-2-methyl-2-morpholin-4-ylhexanenitrile?
The InChIKey is BRFYRLAUWUYJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c1-10(9-15,3-2-4-11(12,13)14)16-5-7-17-8-6-16/h2-8H2,1H3.
What are the key properties of 6,6,6-trifluoro-2-methyl-2-morpholin-4-ylhexanenitrile?
6,6,6-trifluoro-2-methyl-2-morpholin-4-ylhexanenitrile has a molecular weight of 250.26 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-2-methyl-2-morpholin-4-ylhexanenitrile is sourced from PubChem (CID 116536039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).