1-(dimethylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile

C10H15F3N2 — CID 64758865

IUPAC1-(dimethylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile
SMILESCN(C)C1(C#N)CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H15F3N2/c1-15(2)9(7-14)5-3-4-8(6-9)10(11,12)13/h8H,3-6H2,1-2H3
InChIKeyKLOGKGJOOLEAHN-UHFFFAOYSA-N
MW220.24 g/mol
LogP2.56
Rot. Bonds1

About 1-(dimethylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile

1-(dimethylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile (PubChem CID 64758865) has the molecular formula C10H15F3N2 and a molecular weight of 220.24 g/mol. Its IUPAC name is 1-(dimethylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(dimethylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile
PubChem CID64758865
Molecular FormulaC10H15F3N2
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Name1-(dimethylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile
SMILESCN(C)C1(C#N)CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H15F3N2/c1-15(2)9(7-14)5-3-4-8(6-9)10(11,12)13/h8H,3-6H2,1-2H3
InChIKeyKLOGKGJOOLEAHN-UHFFFAOYSA-N
XLogP2.56
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile?
The IUPAC name of 1-(dimethylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile (CID 64758865) is 1-(dimethylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(dimethylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(dimethylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile is CN(C)C1(C#N)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(dimethylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile?
The InChIKey is KLOGKGJOOLEAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2/c1-15(2)9(7-14)5-3-4-8(6-9)10(11,12)13/h8H,3-6H2,1-2H3.
What are the key properties of 1-(dimethylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile?
1-(dimethylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile has a molecular weight of 220.24 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 64758865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).