6,8-difluoro-2-methyl-3,4,4a,9,10,10a-hexahydro-2H-phenanthren-1-one

C15H16F2O — CID 59889703

IUPAC6,8-difluoro-2-methyl-3,4,4a,9,10,10a-hexahydro-2H-phenanthren-1-one
SMILESCC1CCC2c3cc(F)cc(F)c3CCC2C1=O
InChIInChI=1S/C15H16F2O/c1-8-2-3-10-12(15(8)18)5-4-11-13(10)6-9(16)7-14(11)17/h6-8,10,12H,2-5H2,1H3
InChIKeyFNXTUJYFHDNAFW-UHFFFAOYSA-N
MW250.29 g/mol
LogP3.61
Rot. Bonds

About 6,8-difluoro-2-methyl-3,4,4a,9,10,10a-hexahydro-2H-phenanthren-1-one

6,8-difluoro-2-methyl-3,4,4a,9,10,10a-hexahydro-2H-phenanthren-1-one (PubChem CID 59889703) has the molecular formula C15H16F2O and a molecular weight of 250.29 g/mol. Its IUPAC name is 6,8-difluoro-2-methyl-3,4,4a,9,10,10a-hexahydro-2H-phenanthren-1-one.

Molecular Properties

Compound Name6,8-difluoro-2-methyl-3,4,4a,9,10,10a-hexahydro-2H-phenanthren-1-one
PubChem CID59889703
Molecular FormulaC15H16F2O
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name6,8-difluoro-2-methyl-3,4,4a,9,10,10a-hexahydro-2H-phenanthren-1-one
SMILESCC1CCC2c3cc(F)cc(F)c3CCC2C1=O
InChIInChI=1S/C15H16F2O/c1-8-2-3-10-12(15(8)18)5-4-11-13(10)6-9(16)7-14(11)17/h6-8,10,12H,2-5H2,1H3
InChIKeyFNXTUJYFHDNAFW-UHFFFAOYSA-N
XLogP3.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-2-methyl-3,4,4a,9,10,10a-hexahydro-2H-phenanthren-1-one?
The IUPAC name of 6,8-difluoro-2-methyl-3,4,4a,9,10,10a-hexahydro-2H-phenanthren-1-one (CID 59889703) is 6,8-difluoro-2-methyl-3,4,4a,9,10,10a-hexahydro-2H-phenanthren-1-one.
What is the SMILES notation for 6,8-difluoro-2-methyl-3,4,4a,9,10,10a-hexahydro-2H-phenanthren-1-one?
The canonical SMILES for 6,8-difluoro-2-methyl-3,4,4a,9,10,10a-hexahydro-2H-phenanthren-1-one is CC1CCC2c3cc(F)cc(F)c3CCC2C1=O.
What is the InChIKey of 6,8-difluoro-2-methyl-3,4,4a,9,10,10a-hexahydro-2H-phenanthren-1-one?
The InChIKey is FNXTUJYFHDNAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2O/c1-8-2-3-10-12(15(8)18)5-4-11-13(10)6-9(16)7-14(11)17/h6-8,10,12H,2-5H2,1H3.
What are the key properties of 6,8-difluoro-2-methyl-3,4,4a,9,10,10a-hexahydro-2H-phenanthren-1-one?
6,8-difluoro-2-methyl-3,4,4a,9,10,10a-hexahydro-2H-phenanthren-1-one has a molecular weight of 250.29 g/mol, XLogP of 3.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-2-methyl-3,4,4a,9,10,10a-hexahydro-2H-phenanthren-1-one is sourced from PubChem (CID 59889703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).