2-fluoro-8,9,10-trimethyl-3,4,6,7,10,11-hexahydrocycloocta[b]chromen-12-one

C18H21FO2 — CID 142132887

IUPAC2-fluoro-8,9,10-trimethyl-3,4,6,7,10,11-hexahydrocycloocta[b]chromen-12-one
SMILESCC1=C(C)C(C)Cc2c(oc3c(c2=O)C=C(F)CC3)CC1
InChIInChI=1S/C18H21FO2/c1-10-4-6-16-14(8-11(2)12(10)3)18(20)15-9-13(19)5-7-17(15)21-16/h9,11H,4-8H2,1-3H3
InChIKeyRWUXKEMZEPSZRQ-UHFFFAOYSA-N
MW288.36 g/mol
LogP4.36
Rot. Bonds

About 2-fluoro-8,9,10-trimethyl-3,4,6,7,10,11-hexahydrocycloocta[b]chromen-12-one

2-fluoro-8,9,10-trimethyl-3,4,6,7,10,11-hexahydrocycloocta[b]chromen-12-one (PubChem CID 142132887) has the molecular formula C18H21FO2 and a molecular weight of 288.36 g/mol. Its IUPAC name is 2-fluoro-8,9,10-trimethyl-3,4,6,7,10,11-hexahydrocycloocta[b]chromen-12-one.

Molecular Properties

Compound Name2-fluoro-8,9,10-trimethyl-3,4,6,7,10,11-hexahydrocycloocta[b]chromen-12-one
PubChem CID142132887
Molecular FormulaC18H21FO2
Molecular Weight288.36 g/mol
Exact Mass288.15
IUPAC Name2-fluoro-8,9,10-trimethyl-3,4,6,7,10,11-hexahydrocycloocta[b]chromen-12-one
SMILESCC1=C(C)C(C)Cc2c(oc3c(c2=O)C=C(F)CC3)CC1
InChIInChI=1S/C18H21FO2/c1-10-4-6-16-14(8-11(2)12(10)3)18(20)15-9-13(19)5-7-17(15)21-16/h9,11H,4-8H2,1-3H3
InChIKeyRWUXKEMZEPSZRQ-UHFFFAOYSA-N
XLogP4.36
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-fluoro-8,9,10-trimethyl-3,4,6,7,10,11-hexahydrocycloocta[b]chromen-12-one with MolForge

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Related Compounds

7-methoxy-4,4a,5,6,10,10a-hexahydro-3H-anthracen-2-one
CID 13905843
7-methoxy-5-methyl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one
CID 10943323

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-8,9,10-trimethyl-3,4,6,7,10,11-hexahydrocycloocta[b]chromen-12-one?
The IUPAC name of 2-fluoro-8,9,10-trimethyl-3,4,6,7,10,11-hexahydrocycloocta[b]chromen-12-one (CID 142132887) is 2-fluoro-8,9,10-trimethyl-3,4,6,7,10,11-hexahydrocycloocta[b]chromen-12-one.
What is the SMILES notation for 2-fluoro-8,9,10-trimethyl-3,4,6,7,10,11-hexahydrocycloocta[b]chromen-12-one?
The canonical SMILES for 2-fluoro-8,9,10-trimethyl-3,4,6,7,10,11-hexahydrocycloocta[b]chromen-12-one is CC1=C(C)C(C)Cc2c(oc3c(c2=O)C=C(F)CC3)CC1.
What is the InChIKey of 2-fluoro-8,9,10-trimethyl-3,4,6,7,10,11-hexahydrocycloocta[b]chromen-12-one?
The InChIKey is RWUXKEMZEPSZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO2/c1-10-4-6-16-14(8-11(2)12(10)3)18(20)15-9-13(19)5-7-17(15)21-16/h9,11H,4-8H2,1-3H3.
What are the key properties of 2-fluoro-8,9,10-trimethyl-3,4,6,7,10,11-hexahydrocycloocta[b]chromen-12-one?
2-fluoro-8,9,10-trimethyl-3,4,6,7,10,11-hexahydrocycloocta[b]chromen-12-one has a molecular weight of 288.36 g/mol, XLogP of 4.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-8,9,10-trimethyl-3,4,6,7,10,11-hexahydrocycloocta[b]chromen-12-one is sourced from PubChem (CID 142132887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).