(5Z)-5-[(E)-3-(2,6-difluorocyclohexyl)prop-2-enylidene]-1,3,6-trimethyl-1,3-diazinane-2,4-dione

C16H22F2N2O2 — CID 140872335

IUPAC(5Z)-5-[(E)-3-(2,6-difluorocyclohexyl)prop-2-enylidene]-1,3,6-trimethyl-1,3-diazinane-2,4-dione
SMILESCC1/C(=C/C=C/C2C(F)CCCC2F)C(=O)N(C)C(=O)N1C
InChIInChI=1S/C16H22F2N2O2/c1-10-11(15(21)20(3)16(22)19(10)2)6-4-7-12-13(17)8-5-9-14(12)18/h4,6-7,10,12-14H,5,8-9H2,1-3H3/b7-4+,11-6-
InChIKeySJWKIASQXIPHJW-MXDRZKGDSA-N
MW312.36 g/mol
LogP2.86
Rot. Bonds2

About (5Z)-5-[(E)-3-(2,6-difluorocyclohexyl)prop-2-enylidene]-1,3,6-trimethyl-1,3-diazinane-2,4-dione

(5Z)-5-[(E)-3-(2,6-difluorocyclohexyl)prop-2-enylidene]-1,3,6-trimethyl-1,3-diazinane-2,4-dione (PubChem CID 140872335) has the molecular formula C16H22F2N2O2 and a molecular weight of 312.36 g/mol. Its IUPAC name is (5Z)-5-[(E)-3-(2,6-difluorocyclohexyl)prop-2-enylidene]-1,3,6-trimethyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(E)-3-(2,6-difluorocyclohexyl)prop-2-enylidene]-1,3,6-trimethyl-1,3-diazinane-2,4-dione
PubChem CID140872335
Molecular FormulaC16H22F2N2O2
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC Name(5Z)-5-[(E)-3-(2,6-difluorocyclohexyl)prop-2-enylidene]-1,3,6-trimethyl-1,3-diazinane-2,4-dione
SMILESCC1/C(=C/C=C/C2C(F)CCCC2F)C(=O)N(C)C(=O)N1C
InChIInChI=1S/C16H22F2N2O2/c1-10-11(15(21)20(3)16(22)19(10)2)6-4-7-12-13(17)8-5-9-14(12)18/h4,6-7,10,12-14H,5,8-9H2,1-3H3/b7-4+,11-6-
InChIKeySJWKIASQXIPHJW-MXDRZKGDSA-N
XLogP2.86
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(E)-3-(2,6-difluorocyclohexyl)prop-2-enylidene]-1,3,6-trimethyl-1,3-diazinane-2,4-dione?
The IUPAC name of (5Z)-5-[(E)-3-(2,6-difluorocyclohexyl)prop-2-enylidene]-1,3,6-trimethyl-1,3-diazinane-2,4-dione (CID 140872335) is (5Z)-5-[(E)-3-(2,6-difluorocyclohexyl)prop-2-enylidene]-1,3,6-trimethyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for (5Z)-5-[(E)-3-(2,6-difluorocyclohexyl)prop-2-enylidene]-1,3,6-trimethyl-1,3-diazinane-2,4-dione?
The canonical SMILES for (5Z)-5-[(E)-3-(2,6-difluorocyclohexyl)prop-2-enylidene]-1,3,6-trimethyl-1,3-diazinane-2,4-dione is CC1/C(=C/C=C/C2C(F)CCCC2F)C(=O)N(C)C(=O)N1C.
What is the InChIKey of (5Z)-5-[(E)-3-(2,6-difluorocyclohexyl)prop-2-enylidene]-1,3,6-trimethyl-1,3-diazinane-2,4-dione?
The InChIKey is SJWKIASQXIPHJW-MXDRZKGDSA-N. The full InChI is InChI=1S/C16H22F2N2O2/c1-10-11(15(21)20(3)16(22)19(10)2)6-4-7-12-13(17)8-5-9-14(12)18/h4,6-7,10,12-14H,5,8-9H2,1-3H3/b7-4+,11-6-.
What are the key properties of (5Z)-5-[(E)-3-(2,6-difluorocyclohexyl)prop-2-enylidene]-1,3,6-trimethyl-1,3-diazinane-2,4-dione?
(5Z)-5-[(E)-3-(2,6-difluorocyclohexyl)prop-2-enylidene]-1,3,6-trimethyl-1,3-diazinane-2,4-dione has a molecular weight of 312.36 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(E)-3-(2,6-difluorocyclohexyl)prop-2-enylidene]-1,3,6-trimethyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 140872335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).