4,7-difluoro-3-methyl-3-propan-2-yl-1,2-dihydroindene

C13H16F2 — CID 169145613

IUPAC4,7-difluoro-3-methyl-3-propan-2-yl-1,2-dihydroindene
SMILESCC(C)C1(C)CCc2c(F)ccc(F)c21
InChIInChI=1S/C13H16F2/c1-8(2)13(3)7-6-9-10(14)4-5-11(15)12(9)13/h4-5,8H,6-7H2,1-3H3
InChIKeyRHYOWMOWPOVTPO-UHFFFAOYSA-N
MW210.27 g/mol
LogP3.82
Rot. Bonds1

About 4,7-difluoro-3-methyl-3-propan-2-yl-1,2-dihydroindene

4,7-difluoro-3-methyl-3-propan-2-yl-1,2-dihydroindene (PubChem CID 169145613) has the molecular formula C13H16F2 and a molecular weight of 210.27 g/mol. Its IUPAC name is 4,7-difluoro-3-methyl-3-propan-2-yl-1,2-dihydroindene.

Molecular Properties

Compound Name4,7-difluoro-3-methyl-3-propan-2-yl-1,2-dihydroindene
PubChem CID169145613
Molecular FormulaC13H16F2
Molecular Weight210.27 g/mol
Exact Mass210.12
IUPAC Name4,7-difluoro-3-methyl-3-propan-2-yl-1,2-dihydroindene
SMILESCC(C)C1(C)CCc2c(F)ccc(F)c21
InChIInChI=1S/C13H16F2/c1-8(2)13(3)7-6-9-10(14)4-5-11(15)12(9)13/h4-5,8H,6-7H2,1-3H3
InChIKeyRHYOWMOWPOVTPO-UHFFFAOYSA-N
XLogP3.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;8-fluoro-4-methyl-4-propan-2-yl-2,3-dihydro-1H-naphthalene
CID 176568525
7-chloro-3-methyl-3-propan-2-yl-1,2-dihydroinden-4-ol
CID 169146022
1-amino-5,8-difluoro-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 165344766
4-fluoro-1-(4-propan-2-ylphenyl)-2,3-dihydroinden-1-ol
CID 83069805
methane;3-methyl-3-propan-2-yl-1,2-dihydroindene
CID 176568609
3,5-dimethyl-3-propan-2-yl-1,2-dihydroindene
CID 169145342
1-[1-(2-chloro-6-fluoro-3-methylphenyl)cyclopropyl]ethanamine
CID 117327906
2-(2,6-difluorophenyl)-2-propan-2-ylazepane
CID 79118040
1-[1-(2-bromo-6-fluoro-3-methylphenyl)cyclopropyl]ethanamine
CID 117432880
7-fluoro-4-methylsulfonylspiro[1,2-dihydroindene-3,2'-1,3-dioxole]
CID 141436554
8-bromo-5-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol
CID 58950910
7-chloro-4-methyl-3,3-di(propan-2-yl)-1,2-dihydroindene
CID 170422680

Frequently Asked Questions

What is the IUPAC name of 4,7-difluoro-3-methyl-3-propan-2-yl-1,2-dihydroindene?
The IUPAC name of 4,7-difluoro-3-methyl-3-propan-2-yl-1,2-dihydroindene (CID 169145613) is 4,7-difluoro-3-methyl-3-propan-2-yl-1,2-dihydroindene.
What is the SMILES notation for 4,7-difluoro-3-methyl-3-propan-2-yl-1,2-dihydroindene?
The canonical SMILES for 4,7-difluoro-3-methyl-3-propan-2-yl-1,2-dihydroindene is CC(C)C1(C)CCc2c(F)ccc(F)c21.
What is the InChIKey of 4,7-difluoro-3-methyl-3-propan-2-yl-1,2-dihydroindene?
The InChIKey is RHYOWMOWPOVTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2/c1-8(2)13(3)7-6-9-10(14)4-5-11(15)12(9)13/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 4,7-difluoro-3-methyl-3-propan-2-yl-1,2-dihydroindene?
4,7-difluoro-3-methyl-3-propan-2-yl-1,2-dihydroindene has a molecular weight of 210.27 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-difluoro-3-methyl-3-propan-2-yl-1,2-dihydroindene is sourced from PubChem (CID 169145613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).