2-ethynyl-9,9-dimethyl-3,4-dihydrofluorene

C17H16 — CID 164789632

IUPAC2-ethynyl-9,9-dimethyl-3,4-dihydrofluorene
SMILESC#CC1=CC2=C(CC1)c1ccccc1C2(C)C
InChIInChI=1S/C17H16/c1-4-12-9-10-14-13-7-5-6-8-15(13)17(2,3)16(14)11-12/h1,5-8,11H,9-10H2,2-3H3
InChIKeyDMPPOQORDYRFMK-UHFFFAOYSA-N
MW220.31 g/mol
LogP4.08
Rot. Bonds

About 2-ethynyl-9,9-dimethyl-3,4-dihydrofluorene

2-ethynyl-9,9-dimethyl-3,4-dihydrofluorene (PubChem CID 164789632) has the molecular formula C17H16 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-ethynyl-9,9-dimethyl-3,4-dihydrofluorene.

Molecular Properties

Compound Name2-ethynyl-9,9-dimethyl-3,4-dihydrofluorene
PubChem CID164789632
Molecular FormulaC17H16
Molecular Weight220.31 g/mol
Exact Mass220.13
IUPAC Name2-ethynyl-9,9-dimethyl-3,4-dihydrofluorene
SMILESC#CC1=CC2=C(CC1)c1ccccc1C2(C)C
InChIInChI=1S/C17H16/c1-4-12-9-10-14-13-7-5-6-8-15(13)17(2,3)16(14)11-12/h1,5-8,11H,9-10H2,2-3H3
InChIKeyDMPPOQORDYRFMK-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9,9-dimethyl-N-(4-methylcyclohexen-1-yl)-N-(4-methylphenyl)-3,4-dihydrofluoren-2-amine
CID 123708867
N-[4-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylaniline
CID 166694657
N-[4-[(E)-2-[9,9-dimethyl-7-(N-phenylanilino)-3,4-dihydrofluoren-2-yl]ethenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 89189714
2-(2-ethynylphenyl)-9,9-dimethylfluorene
CID 153288294
9-[4-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)phenyl]-2-N,6-N,10-trinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine
CID 89061114
10-fluoren-9-ylidene-9,9-dimethylanthracene
CID 10832973
2-tert-butyl-8-[6-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)-3,4,7,8-tetrahydronaphthalen-2-yl]-3a,10b-dihydropyrene
CID 123299862
1-(7,7,12,12-tetramethyl-10,11-dihydroindeno[2,1-g]fluoren-9-yl)benzotriazole
CID 170071116
4-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluorene
CID 166563569
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3,4-dihydrofluoren-2-amine
CID 163696552
6,9,9-trimethyl-3,4-dihydrofluorene
CID 144639578
4,9,9-trimethyl-3,4-dihydrofluorene;dihydroiodide
CID 142541086

Frequently Asked Questions

What is the IUPAC name of 2-ethynyl-9,9-dimethyl-3,4-dihydrofluorene?
The IUPAC name of 2-ethynyl-9,9-dimethyl-3,4-dihydrofluorene (CID 164789632) is 2-ethynyl-9,9-dimethyl-3,4-dihydrofluorene.
What is the SMILES notation for 2-ethynyl-9,9-dimethyl-3,4-dihydrofluorene?
The canonical SMILES for 2-ethynyl-9,9-dimethyl-3,4-dihydrofluorene is C#CC1=CC2=C(CC1)c1ccccc1C2(C)C.
What is the InChIKey of 2-ethynyl-9,9-dimethyl-3,4-dihydrofluorene?
The InChIKey is DMPPOQORDYRFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16/c1-4-12-9-10-14-13-7-5-6-8-15(13)17(2,3)16(14)11-12/h1,5-8,11H,9-10H2,2-3H3.
What are the key properties of 2-ethynyl-9,9-dimethyl-3,4-dihydrofluorene?
2-ethynyl-9,9-dimethyl-3,4-dihydrofluorene has a molecular weight of 220.31 g/mol, XLogP of 4.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynyl-9,9-dimethyl-3,4-dihydrofluorene is sourced from PubChem (CID 164789632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).