3-ethyl-5-fluoro-1-methyl-2,3-dihydro-1H-indene

C12H15F — CID 126625151

IUPAC3-ethyl-5-fluoro-1-methyl-2,3-dihydro-1H-indene
SMILESCCC1CC(C)c2ccc(F)cc21
InChIInChI=1S/C12H15F/c1-3-9-6-8(2)11-5-4-10(13)7-12(9)11/h4-5,7-9H,3,6H2,1-2H3
InChIKeyRYBCVLQRQCHRMG-UHFFFAOYSA-N
MW178.25 g/mol
LogP3.83
Rot. Bonds1

About 3-ethyl-5-fluoro-1-methyl-2,3-dihydro-1H-indene

3-ethyl-5-fluoro-1-methyl-2,3-dihydro-1H-indene (PubChem CID 126625151) has the molecular formula C12H15F and a molecular weight of 178.25 g/mol. Its IUPAC name is 3-ethyl-5-fluoro-1-methyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name3-ethyl-5-fluoro-1-methyl-2,3-dihydro-1H-indene
PubChem CID126625151
Molecular FormulaC12H15F
Molecular Weight178.25 g/mol
Exact Mass178.12
IUPAC Name3-ethyl-5-fluoro-1-methyl-2,3-dihydro-1H-indene
SMILESCCC1CC(C)c2ccc(F)cc21
InChIInChI=1S/C12H15F/c1-3-9-6-8(2)11-5-4-10(13)7-12(9)11/h4-5,7-9H,3,6H2,1-2H3
InChIKeyRYBCVLQRQCHRMG-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(6-fluoro-3-methyl-2,3-dihydro-1H-inden-1-yl)ethanol
CID 82075944
3-ethyl-6-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 63821741
3-bromo-5-fluoro-1-methyl-2,3-dihydro-1H-indene
CID 63821756
6-fluoro-3-methyl-2,3-dihydro-1H-indene-1-carbonitrile
CID 82074865
(1S)-7-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417616
7-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417620
6-fluoro-2,3-dimethyl-2,3-dihydro-1H-inden-1-ol
CID 79726555
2-(6-ethyl-3-methyl-2,3-dihydro-1H-inden-1-yl)ethanol
CID 82077013
4-ethyl-7-fluoro-2,2-dimethyl-3,4-dihydrochromene
CID 165409857
4-ethyl-7-fluoro-3,4-dihydro-2H-isoquinolin-1-one
CID 82125678
(6-methoxy-3-methyl-2,3-dihydro-1H-inden-1-yl)methanol
CID 14967720
ethane;4-ethyl-7-fluoro-2,2-dimethyl-3,4-dihydrochromene
CID 165409856

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-fluoro-1-methyl-2,3-dihydro-1H-indene?
The IUPAC name of 3-ethyl-5-fluoro-1-methyl-2,3-dihydro-1H-indene (CID 126625151) is 3-ethyl-5-fluoro-1-methyl-2,3-dihydro-1H-indene.
What is the SMILES notation for 3-ethyl-5-fluoro-1-methyl-2,3-dihydro-1H-indene?
The canonical SMILES for 3-ethyl-5-fluoro-1-methyl-2,3-dihydro-1H-indene is CCC1CC(C)c2ccc(F)cc21.
What is the InChIKey of 3-ethyl-5-fluoro-1-methyl-2,3-dihydro-1H-indene?
The InChIKey is RYBCVLQRQCHRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F/c1-3-9-6-8(2)11-5-4-10(13)7-12(9)11/h4-5,7-9H,3,6H2,1-2H3.
What are the key properties of 3-ethyl-5-fluoro-1-methyl-2,3-dihydro-1H-indene?
3-ethyl-5-fluoro-1-methyl-2,3-dihydro-1H-indene has a molecular weight of 178.25 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-fluoro-1-methyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 126625151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).