(6,7-difluoro-6'-methylspiro[2,4-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-ylidene)cyanamide

C20H16F2N2 — CID 90871376

IUPAC(6,7-difluoro-6'-methylspiro[2,4-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-ylidene)cyanamide
SMILESCc1ccc2c(c1)/C(=N\C#N)C1(CCc3cc(F)c(F)cc3C1)C2
InChIInChI=1S/C20H16F2N2/c1-12-2-3-14-9-20(19(24-11-23)16(14)6-12)5-4-13-7-17(21)18(22)8-15(13)10-20/h2-3,6-8H,4-5,9-10H2,1H3/b24-19+
InChIKeyGMVSUKDIIHBTNB-LYBHJNIJSA-N
MW322.36 g/mol
LogP4.27
Rot. Bonds

About (6,7-difluoro-6'-methylspiro[2,4-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-ylidene)cyanamide

(6,7-difluoro-6'-methylspiro[2,4-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-ylidene)cyanamide (PubChem CID 90871376) has the molecular formula C20H16F2N2 and a molecular weight of 322.36 g/mol. Its IUPAC name is (6,7-difluoro-6'-methylspiro[2,4-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-ylidene)cyanamide.

Molecular Properties

Compound Name(6,7-difluoro-6'-methylspiro[2,4-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-ylidene)cyanamide
PubChem CID90871376
Molecular FormulaC20H16F2N2
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name(6,7-difluoro-6'-methylspiro[2,4-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-ylidene)cyanamide
SMILESCc1ccc2c(c1)/C(=N\C#N)C1(CCc3cc(F)c(F)cc3C1)C2
InChIInChI=1S/C20H16F2N2/c1-12-2-3-14-9-20(19(24-11-23)16(14)6-12)5-4-13-7-17(21)18(22)8-15(13)10-20/h2-3,6-8H,4-5,9-10H2,1H3/b24-19+
InChIKeyGMVSUKDIIHBTNB-LYBHJNIJSA-N
XLogP4.27
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

9,10-Anthraquinone diimine, N,N'-dicyano-2-methyl-
CID 623067
9,10-Anthraquinone diimine, N,N'-dicyano-2,3-dimethyl-
CID 625135
1-(9H-fluoren-2-yl)-2,2,2-trifluoro-N-methylethanimine
CID 57603502
1-(9H-fluoren-2-yl)-2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-imine
CID 57603518
1-(9H-fluoren-2-yl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-imine
CID 57603532
1-(9H-fluoren-2-yl)-2,2,3,3,4,4,5,5-octafluoro-N-methylpentan-1-imine
CID 57603535
1-(9H-fluoren-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-methylheptan-1-imine
CID 57603540
[(10E)-10-isocyanoimino-2-methyl-6-(trifluoromethyl)anthracen-9-ylidene]cyanamide
CID 58058857
[(6E)-2,8-bis(3-fluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide
CID 58509759
[(6E)-1,2,3,4-tetrafluoro-6-isocyanoimino-8-(3-methylphenyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide
CID 58509775
[(6Z)-2,4,8,10-tetrafluoro-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide
CID 58509776
[(6Z)-2,8-difluoro-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide
CID 58509777

Frequently Asked Questions

What is the IUPAC name of (6,7-difluoro-6'-methylspiro[2,4-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-ylidene)cyanamide?
The IUPAC name of (6,7-difluoro-6'-methylspiro[2,4-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-ylidene)cyanamide (CID 90871376) is (6,7-difluoro-6'-methylspiro[2,4-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-ylidene)cyanamide.
What is the SMILES notation for (6,7-difluoro-6'-methylspiro[2,4-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-ylidene)cyanamide?
The canonical SMILES for (6,7-difluoro-6'-methylspiro[2,4-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-ylidene)cyanamide is Cc1ccc2c(c1)/C(=N\C#N)C1(CCc3cc(F)c(F)cc3C1)C2.
What is the InChIKey of (6,7-difluoro-6'-methylspiro[2,4-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-ylidene)cyanamide?
The InChIKey is GMVSUKDIIHBTNB-LYBHJNIJSA-N. The full InChI is InChI=1S/C20H16F2N2/c1-12-2-3-14-9-20(19(24-11-23)16(14)6-12)5-4-13-7-17(21)18(22)8-15(13)10-20/h2-3,6-8H,4-5,9-10H2,1H3/b24-19+.
What are the key properties of (6,7-difluoro-6'-methylspiro[2,4-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-ylidene)cyanamide?
(6,7-difluoro-6'-methylspiro[2,4-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-ylidene)cyanamide has a molecular weight of 322.36 g/mol, XLogP of 4.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-difluoro-6'-methylspiro[2,4-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-ylidene)cyanamide is sourced from PubChem (CID 90871376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).