(6aS,12bS)-6a-fluoro-2-methyl-6,7,8,12b-tetrahydro-5H-benzo[c]phenanthrene

C19H19F — CID 102435786

IUPAC(6aS,12bS)-6a-fluoro-2-methyl-6,7,8,12b-tetrahydro-5H-benzo[c]phenanthrene
SMILESCc1ccc2c(c1)[C@@H]1c3ccccc3CC[C@]1(F)CC2
InChIInChI=1S/C19H19F/c1-13-6-7-15-9-11-19(20)10-8-14-4-2-3-5-16(14)18(19)17(15)12-13/h2-7,12,18H,8-11H2,1H3/t18-,19-/m0/s1
InChIKeyRTENAQCTNCMGDX-OALUTQOASA-N
MW266.36 g/mol
LogP4.73
Rot. Bonds

About (6aS,12bS)-6a-fluoro-2-methyl-6,7,8,12b-tetrahydro-5H-benzo[c]phenanthrene

(6aS,12bS)-6a-fluoro-2-methyl-6,7,8,12b-tetrahydro-5H-benzo[c]phenanthrene (PubChem CID 102435786) has the molecular formula C19H19F and a molecular weight of 266.36 g/mol. Its IUPAC name is (6aS,12bS)-6a-fluoro-2-methyl-6,7,8,12b-tetrahydro-5H-benzo[c]phenanthrene.

Molecular Properties

Compound Name(6aS,12bS)-6a-fluoro-2-methyl-6,7,8,12b-tetrahydro-5H-benzo[c]phenanthrene
PubChem CID102435786
Molecular FormulaC19H19F
Molecular Weight266.36 g/mol
Exact Mass266.15
IUPAC Name(6aS,12bS)-6a-fluoro-2-methyl-6,7,8,12b-tetrahydro-5H-benzo[c]phenanthrene
SMILESCc1ccc2c(c1)[C@@H]1c3ccccc3CC[C@]1(F)CC2
InChIInChI=1S/C19H19F/c1-13-6-7-15-9-11-19(20)10-8-14-4-2-3-5-16(14)18(19)17(15)12-13/h2-7,12,18H,8-11H2,1H3/t18-,19-/m0/s1
InChIKeyRTENAQCTNCMGDX-OALUTQOASA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 139402521
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CID 91190227
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Frequently Asked Questions

What is the IUPAC name of (6aS,12bS)-6a-fluoro-2-methyl-6,7,8,12b-tetrahydro-5H-benzo[c]phenanthrene?
The IUPAC name of (6aS,12bS)-6a-fluoro-2-methyl-6,7,8,12b-tetrahydro-5H-benzo[c]phenanthrene (CID 102435786) is (6aS,12bS)-6a-fluoro-2-methyl-6,7,8,12b-tetrahydro-5H-benzo[c]phenanthrene.
What is the SMILES notation for (6aS,12bS)-6a-fluoro-2-methyl-6,7,8,12b-tetrahydro-5H-benzo[c]phenanthrene?
The canonical SMILES for (6aS,12bS)-6a-fluoro-2-methyl-6,7,8,12b-tetrahydro-5H-benzo[c]phenanthrene is Cc1ccc2c(c1)[C@@H]1c3ccccc3CC[C@]1(F)CC2.
What is the InChIKey of (6aS,12bS)-6a-fluoro-2-methyl-6,7,8,12b-tetrahydro-5H-benzo[c]phenanthrene?
The InChIKey is RTENAQCTNCMGDX-OALUTQOASA-N. The full InChI is InChI=1S/C19H19F/c1-13-6-7-15-9-11-19(20)10-8-14-4-2-3-5-16(14)18(19)17(15)12-13/h2-7,12,18H,8-11H2,1H3/t18-,19-/m0/s1.
What are the key properties of (6aS,12bS)-6a-fluoro-2-methyl-6,7,8,12b-tetrahydro-5H-benzo[c]phenanthrene?
(6aS,12bS)-6a-fluoro-2-methyl-6,7,8,12b-tetrahydro-5H-benzo[c]phenanthrene has a molecular weight of 266.36 g/mol, XLogP of 4.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6aS,12bS)-6a-fluoro-2-methyl-6,7,8,12b-tetrahydro-5H-benzo[c]phenanthrene is sourced from PubChem (CID 102435786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).