4,7-difluoro-3,8-dimethyl-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[c]chromene

C15H24F2O — CID 59745721

IUPAC4,7-difluoro-3,8-dimethyl-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[c]chromene
SMILESCC1CCC2C(COC3C(F)C(C)CCC23)C1F
InChIInChI=1S/C15H24F2O/c1-8-3-5-10-11-6-4-9(2)14(17)15(11)18-7-12(10)13(8)16/h8-15H,3-7H2,1-2H3
InChIKeyKNYRIQVLQFBVDB-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.77
Rot. Bonds

About 4,7-difluoro-3,8-dimethyl-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[c]chromene

4,7-difluoro-3,8-dimethyl-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[c]chromene (PubChem CID 59745721) has the molecular formula C15H24F2O and a molecular weight of 258.35 g/mol. Its IUPAC name is 4,7-difluoro-3,8-dimethyl-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[c]chromene.

Molecular Properties

Compound Name4,7-difluoro-3,8-dimethyl-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[c]chromene
PubChem CID59745721
Molecular FormulaC15H24F2O
Molecular Weight258.35 g/mol
Exact Mass258.18
IUPAC Name4,7-difluoro-3,8-dimethyl-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[c]chromene
SMILESCC1CCC2C(COC3C(F)C(C)CCC23)C1F
InChIInChI=1S/C15H24F2O/c1-8-3-5-10-11-6-4-9(2)14(17)15(11)18-7-12(10)13(8)16/h8-15H,3-7H2,1-2H3
InChIKeyKNYRIQVLQFBVDB-UHFFFAOYSA-N
XLogP3.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4,7-difluoro-3,8-dimethyl-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[c]chromene with MolForge

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Related Compounds

1H-2-Benzopyran, 3,4,4a,5,8,8a(or 3,4,4a,7,8,8a)-hexahydro-3,3,6,7-tetramethyl-
CID 3085817
1H-Naphtho(2,3-c)pyran, dodecahydro-1,1-dimethyl-
CID 170852
1H-Naphtho[1,2-c]pyran, dodecahydro-1,1-dimethyl-
CID 170853
(4s,4Ar,7r,8ar)-4-fluoro-4,7-dimethyloctahydrospiro[chromene-2,1'-cyclopentane]
CID 154574018
(4s,4Ar,7r,8ar)-4-fluoro-4,7-dimethyloctahydrospiro[chromene-2,1'-cyclohexane]
CID 154574031
(1R,4aS,8aS)-1-cyclohexyl-6-fluoro-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene
CID 154713783
Perhydronaphthopyran
CID 53707571
7,8-difluoro-2-methyl-6-[2-(4-methylcyclohexyl)ethoxy]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
CID 59745722
7,8-difluoro-2-methyl-6-[(4-methylcyclohexyl)methoxy]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
CID 59775464
2-[4-(3,5-Difluoro-4-methylcyclohexyl)cyclohexyl]-5-methyloxane
CID 68097551
2-[4-[3,5-Difluoro-4-(fluoromethyl)cyclohexyl]cyclohexyl]-5-methyloxane
CID 68208456
(1R,4aR)-2-[(4-fluorocyclohexyl)methoxy]-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 70841737

Frequently Asked Questions

What is the IUPAC name of 4,7-difluoro-3,8-dimethyl-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[c]chromene?
The IUPAC name of 4,7-difluoro-3,8-dimethyl-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[c]chromene (CID 59745721) is 4,7-difluoro-3,8-dimethyl-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[c]chromene.
What is the SMILES notation for 4,7-difluoro-3,8-dimethyl-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[c]chromene?
The canonical SMILES for 4,7-difluoro-3,8-dimethyl-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[c]chromene is CC1CCC2C(COC3C(F)C(C)CCC23)C1F.
What is the InChIKey of 4,7-difluoro-3,8-dimethyl-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[c]chromene?
The InChIKey is KNYRIQVLQFBVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2O/c1-8-3-5-10-11-6-4-9(2)14(17)15(11)18-7-12(10)13(8)16/h8-15H,3-7H2,1-2H3.
What are the key properties of 4,7-difluoro-3,8-dimethyl-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[c]chromene?
4,7-difluoro-3,8-dimethyl-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[c]chromene has a molecular weight of 258.35 g/mol, XLogP of 3.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-difluoro-3,8-dimethyl-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[c]chromene is sourced from PubChem (CID 59745721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).