8-fluoro-3-(1-fluoro-2-methylpropyl)-4,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene

C15H26F2O — CID 144859040

IUPAC8-fluoro-3-(1-fluoro-2-methylpropyl)-4,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene
SMILESCC(C)C(F)C1OCC2C(F)C(C)CCC2C1C
InChIInChI=1S/C15H26F2O/c1-8(2)13(16)15-10(4)11-6-5-9(3)14(17)12(11)7-18-15/h8-15H,5-7H2,1-4H3
InChIKeyCNCNHIGNASUDFP-UHFFFAOYSA-N
MW260.37 g/mol
LogP4.02
Rot. Bonds2

About 8-fluoro-3-(1-fluoro-2-methylpropyl)-4,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene

8-fluoro-3-(1-fluoro-2-methylpropyl)-4,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene (PubChem CID 144859040) has the molecular formula C15H26F2O and a molecular weight of 260.37 g/mol. Its IUPAC name is 8-fluoro-3-(1-fluoro-2-methylpropyl)-4,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene.

Molecular Properties

Compound Name8-fluoro-3-(1-fluoro-2-methylpropyl)-4,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene
PubChem CID144859040
Molecular FormulaC15H26F2O
Molecular Weight260.37 g/mol
Exact Mass260.20
IUPAC Name8-fluoro-3-(1-fluoro-2-methylpropyl)-4,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene
SMILESCC(C)C(F)C1OCC2C(F)C(C)CCC2C1C
InChIInChI=1S/C15H26F2O/c1-8(2)13(16)15-10(4)11-6-5-9(3)14(17)12(11)7-18-15/h8-15H,5-7H2,1-4H3
InChIKeyCNCNHIGNASUDFP-UHFFFAOYSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 8-fluoro-3-(1-fluoro-2-methylpropyl)-4,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene with MolForge

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Related Compounds

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(1R,4aS,8aS)-6-fluoro-1-heptyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene
CID 154716801
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2-[4-(Fluoromethyl)cyclohexyl]-5-methyloxane
CID 57757399
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2-[4-(Difluoromethyl)cyclohexyl]-5-methyloxane
CID 67890084
6-Butyl-2,3-difluoro-2,4,5-trimethyloxane
CID 68112161
(2S,8aS)-6-fluoro-2-propyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
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2-Methyl-5-[4-(trifluoromethyl)cyclohexyl]oxane
CID 68320859

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3-(1-fluoro-2-methylpropyl)-4,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene?
The IUPAC name of 8-fluoro-3-(1-fluoro-2-methylpropyl)-4,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene (CID 144859040) is 8-fluoro-3-(1-fluoro-2-methylpropyl)-4,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene.
What is the SMILES notation for 8-fluoro-3-(1-fluoro-2-methylpropyl)-4,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene?
The canonical SMILES for 8-fluoro-3-(1-fluoro-2-methylpropyl)-4,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene is CC(C)C(F)C1OCC2C(F)C(C)CCC2C1C.
What is the InChIKey of 8-fluoro-3-(1-fluoro-2-methylpropyl)-4,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene?
The InChIKey is CNCNHIGNASUDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F2O/c1-8(2)13(16)15-10(4)11-6-5-9(3)14(17)12(11)7-18-15/h8-15H,5-7H2,1-4H3.
What are the key properties of 8-fluoro-3-(1-fluoro-2-methylpropyl)-4,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene?
8-fluoro-3-(1-fluoro-2-methylpropyl)-4,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene has a molecular weight of 260.37 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3-(1-fluoro-2-methylpropyl)-4,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene is sourced from PubChem (CID 144859040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).