2-tert-butyl-9,9-difluoro-7-methylfluorene;ethane

C22H30F2 — CID 157036733

IUPAC2-tert-butyl-9,9-difluoro-7-methylfluorene;ethane
SMILESCC.CC.Cc1ccc2c(c1)C(F)(F)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C18H18F2.2C2H6/c1-11-5-7-13-14-8-6-12(17(2,3)4)10-16(14)18(19,20)15(13)9-11;2*1-2/h5-10H,1-4H3;2*1-2H3
InChIKeyOVRRBKXDJAUDGM-UHFFFAOYSA-N
MW332.48 g/mol
LogP7.47
Rot. Bonds

About 2-tert-butyl-9,9-difluoro-7-methylfluorene;ethane

2-tert-butyl-9,9-difluoro-7-methylfluorene;ethane (PubChem CID 157036733) has the molecular formula C22H30F2 and a molecular weight of 332.48 g/mol. Its IUPAC name is 2-tert-butyl-9,9-difluoro-7-methylfluorene;ethane.

Molecular Properties

Compound Name2-tert-butyl-9,9-difluoro-7-methylfluorene;ethane
PubChem CID157036733
Molecular FormulaC22H30F2
Molecular Weight332.48 g/mol
Exact Mass332.23
IUPAC Name2-tert-butyl-9,9-difluoro-7-methylfluorene;ethane
SMILESCC.CC.Cc1ccc2c(c1)C(F)(F)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C18H18F2.2C2H6/c1-11-5-7-13-14-8-6-12(17(2,3)4)10-16(14)18(19,20)15(13)9-11;2*1-2/h5-10H,1-4H3;2*1-2H3
InChIKeyOVRRBKXDJAUDGM-UHFFFAOYSA-N
XLogP7.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.48
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-9,9-difluoro-7-methylfluorene;ethane?
The IUPAC name of 2-tert-butyl-9,9-difluoro-7-methylfluorene;ethane (CID 157036733) is 2-tert-butyl-9,9-difluoro-7-methylfluorene;ethane.
What is the SMILES notation for 2-tert-butyl-9,9-difluoro-7-methylfluorene;ethane?
The canonical SMILES for 2-tert-butyl-9,9-difluoro-7-methylfluorene;ethane is CC.CC.Cc1ccc2c(c1)C(F)(F)c1cc(C(C)(C)C)ccc1-2.
What is the InChIKey of 2-tert-butyl-9,9-difluoro-7-methylfluorene;ethane?
The InChIKey is OVRRBKXDJAUDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2.2C2H6/c1-11-5-7-13-14-8-6-12(17(2,3)4)10-16(14)18(19,20)15(13)9-11;2*1-2/h5-10H,1-4H3;2*1-2H3.
What are the key properties of 2-tert-butyl-9,9-difluoro-7-methylfluorene;ethane?
2-tert-butyl-9,9-difluoro-7-methylfluorene;ethane has a molecular weight of 332.48 g/mol, XLogP of 7.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-9,9-difluoro-7-methylfluorene;ethane is sourced from PubChem (CID 157036733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).