(4aS)-6-fluoro-4a-methyl-1-phenyl-3,4-dihydrofluorene

C20H17F — CID 139090980

IUPAC(4aS)-6-fluoro-4a-methyl-1-phenyl-3,4-dihydrofluorene
SMILESC[C@@]12CCC=C(c3ccccc3)C1=Cc1ccc(F)cc12
InChIInChI=1S/C20H17F/c1-20-11-5-8-17(14-6-3-2-4-7-14)19(20)12-15-9-10-16(21)13-18(15)20/h2-4,6-10,12-13H,5,11H2,1H3/t20-/m0/s1
InChIKeyLWVKHMINSNPGGX-FQEVSTJZSA-N
MW276.35 g/mol
LogP5.36
Rot. Bonds1

About (4aS)-6-fluoro-4a-methyl-1-phenyl-3,4-dihydrofluorene

(4aS)-6-fluoro-4a-methyl-1-phenyl-3,4-dihydrofluorene (PubChem CID 139090980) has the molecular formula C20H17F and a molecular weight of 276.35 g/mol. Its IUPAC name is (4aS)-6-fluoro-4a-methyl-1-phenyl-3,4-dihydrofluorene.

Molecular Properties

Compound Name(4aS)-6-fluoro-4a-methyl-1-phenyl-3,4-dihydrofluorene
PubChem CID139090980
Molecular FormulaC20H17F
Molecular Weight276.35 g/mol
Exact Mass276.13
IUPAC Name(4aS)-6-fluoro-4a-methyl-1-phenyl-3,4-dihydrofluorene
SMILESC[C@@]12CCC=C(c3ccccc3)C1=Cc1ccc(F)cc12
InChIInChI=1S/C20H17F/c1-20-11-5-8-17(14-6-3-2-4-7-14)19(20)12-15-9-10-16(21)13-18(15)20/h2-4,6-10,12-13H,5,11H2,1H3/t20-/m0/s1
InChIKeyLWVKHMINSNPGGX-FQEVSTJZSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.35
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (4aS)-6-fluoro-4a-methyl-1-phenyl-3,4-dihydrofluorene?
The IUPAC name of (4aS)-6-fluoro-4a-methyl-1-phenyl-3,4-dihydrofluorene (CID 139090980) is (4aS)-6-fluoro-4a-methyl-1-phenyl-3,4-dihydrofluorene.
What is the SMILES notation for (4aS)-6-fluoro-4a-methyl-1-phenyl-3,4-dihydrofluorene?
The canonical SMILES for (4aS)-6-fluoro-4a-methyl-1-phenyl-3,4-dihydrofluorene is C[C@@]12CCC=C(c3ccccc3)C1=Cc1ccc(F)cc12.
What is the InChIKey of (4aS)-6-fluoro-4a-methyl-1-phenyl-3,4-dihydrofluorene?
The InChIKey is LWVKHMINSNPGGX-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H17F/c1-20-11-5-8-17(14-6-3-2-4-7-14)19(20)12-15-9-10-16(21)13-18(15)20/h2-4,6-10,12-13H,5,11H2,1H3/t20-/m0/s1.
What are the key properties of (4aS)-6-fluoro-4a-methyl-1-phenyl-3,4-dihydrofluorene?
(4aS)-6-fluoro-4a-methyl-1-phenyl-3,4-dihydrofluorene has a molecular weight of 276.35 g/mol, XLogP of 5.36, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS)-6-fluoro-4a-methyl-1-phenyl-3,4-dihydrofluorene is sourced from PubChem (CID 139090980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).