(3Z)-2,2-dimethyl-3-(2,2,2-trifluoroethylidene)-1H-indene

C13H13F3 — CID 166442233

IUPAC(3Z)-2,2-dimethyl-3-(2,2,2-trifluoroethylidene)-1H-indene
SMILESCC1(C)Cc2ccccc2/C1=C\C(F)(F)F
InChIInChI=1S/C13H13F3/c1-12(2)7-9-5-3-4-6-10(9)11(12)8-13(14,15)16/h3-6,8H,7H2,1-2H3/b11-8+
InChIKeyTVXPAFNLFCQXOJ-DHZHZOJOSA-N
MW226.24 g/mol
LogP4.21
Rot. Bonds

About (3Z)-2,2-dimethyl-3-(2,2,2-trifluoroethylidene)-1H-indene

(3Z)-2,2-dimethyl-3-(2,2,2-trifluoroethylidene)-1H-indene (PubChem CID 166442233) has the molecular formula C13H13F3 and a molecular weight of 226.24 g/mol. Its IUPAC name is (3Z)-2,2-dimethyl-3-(2,2,2-trifluoroethylidene)-1H-indene.

Molecular Properties

Compound Name(3Z)-2,2-dimethyl-3-(2,2,2-trifluoroethylidene)-1H-indene
PubChem CID166442233
Molecular FormulaC13H13F3
Molecular Weight226.24 g/mol
Exact Mass226.10
IUPAC Name(3Z)-2,2-dimethyl-3-(2,2,2-trifluoroethylidene)-1H-indene
SMILESCC1(C)Cc2ccccc2/C1=C\C(F)(F)F
InChIInChI=1S/C13H13F3/c1-12(2)7-9-5-3-4-6-10(9)11(12)8-13(14,15)16/h3-6,8H,7H2,1-2H3/b11-8+
InChIKeyTVXPAFNLFCQXOJ-DHZHZOJOSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[difluoro(iodo)methyl]-2-methyl-3H-inden-1-one
CID 46831315
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CID 23251449
1-amino-3,3-dimethyl-4H-naphthalene-2-carbonitrile
CID 2842471
2,2-bis(trifluoromethyl)-3H-inden-1-one
CID 10015841
7-methyl-7-(trifluoromethyl)bicyclo[4.2.0]octa-1,3,5-triene
CID 178118507
3'-ethylidene-1'-methylspiro[1,3-dihydroindene-2,2'-indene]-1'-ol
CID 142663531
ethane;2,2,4-trimethyl-1H-naphthalene
CID 143082444
2-[(3,3-dimethyl-4H-isoquinolin-1-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 835158
5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione
CID 39841289
1,3,3-trimethyl-4H-isoquinoline;hydrochloride
CID 52995067
1,3,3-trimethyl-4H-isoquinolin-2-ium chloride
CID 44654585

Frequently Asked Questions

What is the IUPAC name of (3Z)-2,2-dimethyl-3-(2,2,2-trifluoroethylidene)-1H-indene?
The IUPAC name of (3Z)-2,2-dimethyl-3-(2,2,2-trifluoroethylidene)-1H-indene (CID 166442233) is (3Z)-2,2-dimethyl-3-(2,2,2-trifluoroethylidene)-1H-indene.
What is the SMILES notation for (3Z)-2,2-dimethyl-3-(2,2,2-trifluoroethylidene)-1H-indene?
The canonical SMILES for (3Z)-2,2-dimethyl-3-(2,2,2-trifluoroethylidene)-1H-indene is CC1(C)Cc2ccccc2/C1=C\C(F)(F)F.
What is the InChIKey of (3Z)-2,2-dimethyl-3-(2,2,2-trifluoroethylidene)-1H-indene?
The InChIKey is TVXPAFNLFCQXOJ-DHZHZOJOSA-N. The full InChI is InChI=1S/C13H13F3/c1-12(2)7-9-5-3-4-6-10(9)11(12)8-13(14,15)16/h3-6,8H,7H2,1-2H3/b11-8+.
What are the key properties of (3Z)-2,2-dimethyl-3-(2,2,2-trifluoroethylidene)-1H-indene?
(3Z)-2,2-dimethyl-3-(2,2,2-trifluoroethylidene)-1H-indene has a molecular weight of 226.24 g/mol, XLogP of 4.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2,2-dimethyl-3-(2,2,2-trifluoroethylidene)-1H-indene is sourced from PubChem (CID 166442233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).