4,4-dimethyl-2-pyrrolidin-1-yl-6-(1,1,3,3-tetrafluoropropan-2-ylidene)cyclohexene-1-carbonitrile

C16H20F4N2 — CID 164763449

IUPAC4,4-dimethyl-2-pyrrolidin-1-yl-6-(1,1,3,3-tetrafluoropropan-2-ylidene)cyclohexene-1-carbonitrile
SMILESCC1(C)CC(=C(C(F)F)C(F)F)C(C#N)=C(N2CCCC2)C1
InChIInChI=1S/C16H20F4N2/c1-16(2)7-10(13(14(17)18)15(19)20)11(9-21)12(8-16)22-5-3-4-6-22/h14-15H,3-8H2,1-2H3
InChIKeyHYRMCJORYCJVPN-UHFFFAOYSA-N
MW316.34 g/mol
LogP4.51
Rot. Bonds3

About 4,4-dimethyl-2-pyrrolidin-1-yl-6-(1,1,3,3-tetrafluoropropan-2-ylidene)cyclohexene-1-carbonitrile

4,4-dimethyl-2-pyrrolidin-1-yl-6-(1,1,3,3-tetrafluoropropan-2-ylidene)cyclohexene-1-carbonitrile (PubChem CID 164763449) has the molecular formula C16H20F4N2 and a molecular weight of 316.34 g/mol. Its IUPAC name is 4,4-dimethyl-2-pyrrolidin-1-yl-6-(1,1,3,3-tetrafluoropropan-2-ylidene)cyclohexene-1-carbonitrile.

Molecular Properties

Compound Name4,4-dimethyl-2-pyrrolidin-1-yl-6-(1,1,3,3-tetrafluoropropan-2-ylidene)cyclohexene-1-carbonitrile
PubChem CID164763449
Molecular FormulaC16H20F4N2
Molecular Weight316.34 g/mol
Exact Mass316.16
IUPAC Name4,4-dimethyl-2-pyrrolidin-1-yl-6-(1,1,3,3-tetrafluoropropan-2-ylidene)cyclohexene-1-carbonitrile
SMILESCC1(C)CC(=C(C(F)F)C(F)F)C(C#N)=C(N2CCCC2)C1
InChIInChI=1S/C16H20F4N2/c1-16(2)7-10(13(14(17)18)15(19)20)11(9-21)12(8-16)22-5-3-4-6-22/h14-15H,3-8H2,1-2H3
InChIKeyHYRMCJORYCJVPN-UHFFFAOYSA-N
XLogP4.51
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2Z)-2-[3-[2-fluoroethyl(2,2,3,3,4,4,4-heptafluorobutyl)amino]-5,5-dimethylcyclohex-2-en-1-ylidene]propanenitrile
CID 117878798
6-(Difluoromethylidene)-4,4-dimethyl-2-pyrrolidin-1-ylcyclohexene-1-carbonitrile
CID 154691761
2-[5,5-Dimethyl-3-pyrrolidin-1-yl-2-(trifluoromethyl)cyclohex-2-en-1-ylidene]propanedinitrile
CID 154691808
2-[2-Cyano-3-(4,4-difluoropiperidin-1-yl)-5,5-dimethylcyclohex-2-en-1-ylidene]propanedinitrile
CID 164763151
(6Z)-6-[cyano(fluoro)methylidene]-4,4-dimethyl-2-pyrrolidin-1-ylcyclohexene-1-carbonitrile
CID 164763189
2-[5,5-Dimethyl-2-(1,1,2,2,2-pentafluoroethyl)-3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene]propanedinitrile
CID 164763230
2-[2-Cyano-3-[2-(difluoromethyl)piperidin-1-yl]-5,5-dimethylcyclohex-2-en-1-ylidene]propanedinitrile
CID 164763231
2-[5,5-Dimethyl-3-pyrrolidin-1-yl-2-(trifluoromethylsulfanyl)cyclohex-2-en-1-ylidene]propanedinitrile
CID 164763279
(6Z)-6-(1-cyano-2,2,2-trifluoroethylidene)-4,4-dimethyl-2-pyrrolidin-1-ylcyclohexene-1-carbonitrile
CID 164763552
(6E)-6-(1-cyano-2-fluoroethylidene)-4,4-dimethyl-2-pyrrolidin-1-ylcyclohexene-1-carbonitrile
CID 164763555
2-(2-Fluoro-5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)propanedinitrile
CID 164763568
2-[3-[Bis(3,3,3-trifluoropropyl)amino]-2-cyano-5,5-dimethylcyclohex-2-en-1-ylidene]propanedinitrile
CID 167061224

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-pyrrolidin-1-yl-6-(1,1,3,3-tetrafluoropropan-2-ylidene)cyclohexene-1-carbonitrile?
The IUPAC name of 4,4-dimethyl-2-pyrrolidin-1-yl-6-(1,1,3,3-tetrafluoropropan-2-ylidene)cyclohexene-1-carbonitrile (CID 164763449) is 4,4-dimethyl-2-pyrrolidin-1-yl-6-(1,1,3,3-tetrafluoropropan-2-ylidene)cyclohexene-1-carbonitrile.
What is the SMILES notation for 4,4-dimethyl-2-pyrrolidin-1-yl-6-(1,1,3,3-tetrafluoropropan-2-ylidene)cyclohexene-1-carbonitrile?
The canonical SMILES for 4,4-dimethyl-2-pyrrolidin-1-yl-6-(1,1,3,3-tetrafluoropropan-2-ylidene)cyclohexene-1-carbonitrile is CC1(C)CC(=C(C(F)F)C(F)F)C(C#N)=C(N2CCCC2)C1.
What is the InChIKey of 4,4-dimethyl-2-pyrrolidin-1-yl-6-(1,1,3,3-tetrafluoropropan-2-ylidene)cyclohexene-1-carbonitrile?
The InChIKey is HYRMCJORYCJVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F4N2/c1-16(2)7-10(13(14(17)18)15(19)20)11(9-21)12(8-16)22-5-3-4-6-22/h14-15H,3-8H2,1-2H3.
What are the key properties of 4,4-dimethyl-2-pyrrolidin-1-yl-6-(1,1,3,3-tetrafluoropropan-2-ylidene)cyclohexene-1-carbonitrile?
4,4-dimethyl-2-pyrrolidin-1-yl-6-(1,1,3,3-tetrafluoropropan-2-ylidene)cyclohexene-1-carbonitrile has a molecular weight of 316.34 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-pyrrolidin-1-yl-6-(1,1,3,3-tetrafluoropropan-2-ylidene)cyclohexene-1-carbonitrile is sourced from PubChem (CID 164763449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).