7-fluoro-3,9,9-trimethyl-1,2,3,4-tetrahydrofluorene

C16H19F — CID 138977616

IUPAC7-fluoro-3,9,9-trimethyl-1,2,3,4-tetrahydrofluorene
SMILESCC1CCC2=C(C1)c1ccc(F)cc1C2(C)C
InChIInChI=1S/C16H19F/c1-10-4-7-14-13(8-10)12-6-5-11(17)9-15(12)16(14,2)3/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyVGUFLJPJMNTTRR-UHFFFAOYSA-N
MW230.33 g/mol
LogP4.69
Rot. Bonds

About 7-fluoro-3,9,9-trimethyl-1,2,3,4-tetrahydrofluorene

7-fluoro-3,9,9-trimethyl-1,2,3,4-tetrahydrofluorene (PubChem CID 138977616) has the molecular formula C16H19F and a molecular weight of 230.33 g/mol. Its IUPAC name is 7-fluoro-3,9,9-trimethyl-1,2,3,4-tetrahydrofluorene.

Molecular Properties

Compound Name7-fluoro-3,9,9-trimethyl-1,2,3,4-tetrahydrofluorene
PubChem CID138977616
Molecular FormulaC16H19F
Molecular Weight230.33 g/mol
Exact Mass230.15
IUPAC Name7-fluoro-3,9,9-trimethyl-1,2,3,4-tetrahydrofluorene
SMILESCC1CCC2=C(C1)c1ccc(F)cc1C2(C)C
InChIInChI=1S/C16H19F/c1-10-4-7-14-13(8-10)12-6-5-11(17)9-15(12)16(14,2)3/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyVGUFLJPJMNTTRR-UHFFFAOYSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3,9,9-trimethyl-1,2,3,4-tetrahydrofluorene?
The IUPAC name of 7-fluoro-3,9,9-trimethyl-1,2,3,4-tetrahydrofluorene (CID 138977616) is 7-fluoro-3,9,9-trimethyl-1,2,3,4-tetrahydrofluorene.
What is the SMILES notation for 7-fluoro-3,9,9-trimethyl-1,2,3,4-tetrahydrofluorene?
The canonical SMILES for 7-fluoro-3,9,9-trimethyl-1,2,3,4-tetrahydrofluorene is CC1CCC2=C(C1)c1ccc(F)cc1C2(C)C.
What is the InChIKey of 7-fluoro-3,9,9-trimethyl-1,2,3,4-tetrahydrofluorene?
The InChIKey is VGUFLJPJMNTTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F/c1-10-4-7-14-13(8-10)12-6-5-11(17)9-15(12)16(14,2)3/h5-6,9-10H,4,7-8H2,1-3H3.
What are the key properties of 7-fluoro-3,9,9-trimethyl-1,2,3,4-tetrahydrofluorene?
7-fluoro-3,9,9-trimethyl-1,2,3,4-tetrahydrofluorene has a molecular weight of 230.33 g/mol, XLogP of 4.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3,9,9-trimethyl-1,2,3,4-tetrahydrofluorene is sourced from PubChem (CID 138977616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).