(4bR,8aS,9R)-2-fluoro-9-hydroxy-4b,8,8-trimethyl-6,7,8a,9-tetrahydro-5H-fluorene-3-carbonitrile

C17H20FNO — CID 54760660

IUPAC(4bR,8aS,9R)-2-fluoro-9-hydroxy-4b,8,8-trimethyl-6,7,8a,9-tetrahydro-5H-fluorene-3-carbonitrile
SMILESCC1(C)CCC[C@@]2(C)c3cc(C#N)c(F)cc3[C@H](O)[C@@H]12
InChIInChI=1S/C17H20FNO/c1-16(2)5-4-6-17(3)12-7-10(9-19)13(18)8-11(12)14(20)15(16)17/h7-8,14-15,20H,4-6H2,1-3H3/t14-,15-,17-/m0/s1
InChIKeyIRJYXKPLWATSPE-ZOBUZTSGSA-N
MW273.35 g/mol
LogP3.83
Rot. Bonds

About (4bR,8aS,9R)-2-fluoro-9-hydroxy-4b,8,8-trimethyl-6,7,8a,9-tetrahydro-5H-fluorene-3-carbonitrile

(4bR,8aS,9R)-2-fluoro-9-hydroxy-4b,8,8-trimethyl-6,7,8a,9-tetrahydro-5H-fluorene-3-carbonitrile (PubChem CID 54760660) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is (4bR,8aS,9R)-2-fluoro-9-hydroxy-4b,8,8-trimethyl-6,7,8a,9-tetrahydro-5H-fluorene-3-carbonitrile.

Molecular Properties

Compound Name(4bR,8aS,9R)-2-fluoro-9-hydroxy-4b,8,8-trimethyl-6,7,8a,9-tetrahydro-5H-fluorene-3-carbonitrile
PubChem CID54760660
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name(4bR,8aS,9R)-2-fluoro-9-hydroxy-4b,8,8-trimethyl-6,7,8a,9-tetrahydro-5H-fluorene-3-carbonitrile
SMILESCC1(C)CCC[C@@]2(C)c3cc(C#N)c(F)cc3[C@H](O)[C@@H]12
InChIInChI=1S/C17H20FNO/c1-16(2)5-4-6-17(3)12-7-10(9-19)13(18)8-11(12)14(20)15(16)17/h7-8,14-15,20H,4-6H2,1-3H3/t14-,15-,17-/m0/s1
InChIKeyIRJYXKPLWATSPE-ZOBUZTSGSA-N
XLogP3.83
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4bR,8aS,9R)-2-fluoro-9-hydroxy-4b,8,8-trimethyl-6,7,8a,9-tetrahydro-5H-fluorene-3-carbonitrile?
The IUPAC name of (4bR,8aS,9R)-2-fluoro-9-hydroxy-4b,8,8-trimethyl-6,7,8a,9-tetrahydro-5H-fluorene-3-carbonitrile (CID 54760660) is (4bR,8aS,9R)-2-fluoro-9-hydroxy-4b,8,8-trimethyl-6,7,8a,9-tetrahydro-5H-fluorene-3-carbonitrile.
What is the SMILES notation for (4bR,8aS,9R)-2-fluoro-9-hydroxy-4b,8,8-trimethyl-6,7,8a,9-tetrahydro-5H-fluorene-3-carbonitrile?
The canonical SMILES for (4bR,8aS,9R)-2-fluoro-9-hydroxy-4b,8,8-trimethyl-6,7,8a,9-tetrahydro-5H-fluorene-3-carbonitrile is CC1(C)CCC[C@@]2(C)c3cc(C#N)c(F)cc3[C@H](O)[C@@H]12.
What is the InChIKey of (4bR,8aS,9R)-2-fluoro-9-hydroxy-4b,8,8-trimethyl-6,7,8a,9-tetrahydro-5H-fluorene-3-carbonitrile?
The InChIKey is IRJYXKPLWATSPE-ZOBUZTSGSA-N. The full InChI is InChI=1S/C17H20FNO/c1-16(2)5-4-6-17(3)12-7-10(9-19)13(18)8-11(12)14(20)15(16)17/h7-8,14-15,20H,4-6H2,1-3H3/t14-,15-,17-/m0/s1.
What are the key properties of (4bR,8aS,9R)-2-fluoro-9-hydroxy-4b,8,8-trimethyl-6,7,8a,9-tetrahydro-5H-fluorene-3-carbonitrile?
(4bR,8aS,9R)-2-fluoro-9-hydroxy-4b,8,8-trimethyl-6,7,8a,9-tetrahydro-5H-fluorene-3-carbonitrile has a molecular weight of 273.35 g/mol, XLogP of 3.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4bR,8aS,9R)-2-fluoro-9-hydroxy-4b,8,8-trimethyl-6,7,8a,9-tetrahydro-5H-fluorene-3-carbonitrile is sourced from PubChem (CID 54760660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).