9,9-difluoro-2,7-dimethyl-4a,9a-dihydrofluorene

C15H14F2 — CID 71218819

IUPAC9,9-difluoro-2,7-dimethyl-4a,9a-dihydrofluorene
SMILESCC1=CC2C(C=C1)c1ccc(C)cc1C2(F)F
InChIInChI=1S/C15H14F2/c1-9-3-5-11-12-6-4-10(2)8-14(12)15(16,17)13(11)7-9/h3-8,11,13H,1-2H3
InChIKeyYXTJCTDYSHUMAS-UHFFFAOYSA-N
MW232.27 g/mol
LogP4.32
Rot. Bonds

About 9,9-difluoro-2,7-dimethyl-4a,9a-dihydrofluorene

9,9-difluoro-2,7-dimethyl-4a,9a-dihydrofluorene (PubChem CID 71218819) has the molecular formula C15H14F2 and a molecular weight of 232.27 g/mol. Its IUPAC name is 9,9-difluoro-2,7-dimethyl-4a,9a-dihydrofluorene.

Molecular Properties

Compound Name9,9-difluoro-2,7-dimethyl-4a,9a-dihydrofluorene
PubChem CID71218819
Molecular FormulaC15H14F2
Molecular Weight232.27 g/mol
Exact Mass232.11
IUPAC Name9,9-difluoro-2,7-dimethyl-4a,9a-dihydrofluorene
SMILESCC1=CC2C(C=C1)c1ccc(C)cc1C2(F)F
InChIInChI=1S/C15H14F2/c1-9-3-5-11-12-6-4-10(2)8-14(12)15(16,17)13(11)7-9/h3-8,11,13H,1-2H3
InChIKeyYXTJCTDYSHUMAS-UHFFFAOYSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 9,9-difluoro-2,7-dimethyl-4a,9a-dihydrofluorene?
The IUPAC name of 9,9-difluoro-2,7-dimethyl-4a,9a-dihydrofluorene (CID 71218819) is 9,9-difluoro-2,7-dimethyl-4a,9a-dihydrofluorene.
What is the SMILES notation for 9,9-difluoro-2,7-dimethyl-4a,9a-dihydrofluorene?
The canonical SMILES for 9,9-difluoro-2,7-dimethyl-4a,9a-dihydrofluorene is CC1=CC2C(C=C1)c1ccc(C)cc1C2(F)F.
What is the InChIKey of 9,9-difluoro-2,7-dimethyl-4a,9a-dihydrofluorene?
The InChIKey is YXTJCTDYSHUMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2/c1-9-3-5-11-12-6-4-10(2)8-14(12)15(16,17)13(11)7-9/h3-8,11,13H,1-2H3.
What are the key properties of 9,9-difluoro-2,7-dimethyl-4a,9a-dihydrofluorene?
9,9-difluoro-2,7-dimethyl-4a,9a-dihydrofluorene has a molecular weight of 232.27 g/mol, XLogP of 4.32, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-difluoro-2,7-dimethyl-4a,9a-dihydrofluorene is sourced from PubChem (CID 71218819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).