2,2-difluoro-3,4,5,6,7,8-hexahydronaphthalen-1-one

C10H12F2O — CID 10845225

IUPAC2,2-difluoro-3,4,5,6,7,8-hexahydronaphthalen-1-one
SMILESO=C1C2=C(CCCC2)CCC1(F)F
InChIInChI=1S/C10H12F2O/c11-10(12)6-5-7-3-1-2-4-8(7)9(10)13/h1-6H2
InChIKeyCNXIFKAESSPBRZ-UHFFFAOYSA-N
MW186.20 g/mol
LogP2.86
Rot. Bonds

About 2,2-difluoro-3,4,5,6,7,8-hexahydronaphthalen-1-one

2,2-difluoro-3,4,5,6,7,8-hexahydronaphthalen-1-one (PubChem CID 10845225) has the molecular formula C10H12F2O and a molecular weight of 186.20 g/mol. Its IUPAC name is 2,2-difluoro-3,4,5,6,7,8-hexahydronaphthalen-1-one.

Molecular Properties

Compound Name2,2-difluoro-3,4,5,6,7,8-hexahydronaphthalen-1-one
PubChem CID10845225
Molecular FormulaC10H12F2O
Molecular Weight186.20 g/mol
Exact Mass186.09
IUPAC Name2,2-difluoro-3,4,5,6,7,8-hexahydronaphthalen-1-one
SMILESO=C1C2=C(CCCC2)CCC1(F)F
InChIInChI=1S/C10H12F2O/c11-10(12)6-5-7-3-1-2-4-8(7)9(10)13/h1-6H2
InChIKeyCNXIFKAESSPBRZ-UHFFFAOYSA-N
XLogP2.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,4,5,6,7,8-Hexahydro-1(2H)-naphthalenone
CID 578871
2(1H)-Naphthalenone, 3,4,5,6,7,8-hexahydro-
CID 572673
1-(1-Cyclohexen-1-Yl)-2,2,2-Trifluoroethanone
CID 13843538
InChI=1/C10H12O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6H
CID 10909891
3,4,7,8-tetrahydronaphthalene-1,6(2H,5H)-dione
CID 10964852
2,2,2-Trifluoro-1-(2-methylcyclohexen-1-yl)ethanone
CID 5324058
6,6-Difluoro-2-heptyl-3-methylcyclohex-2-en-1-one
CID 10977691
2,3,5-Trimethyl-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclohexa-2,5-diene-1,4-dione
CID 11677106
4-(trifluoromethyl)-3,4,5,6,7,8-hexahydro-1H-naphthalen-2-one
CID 12576065
Ethanone, 2,2,2-trifluoro-1-(2-methyl-1-cyclopenten-1-yl)-(9CI)
CID 21729575
4,4-Difluoro-3-methyl-2-pentylcyclopent-2-en-1-one
CID 24821191
1-(2-Fluorocyclohexen-1-yl)ethanone
CID 68340967

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3,4,5,6,7,8-hexahydronaphthalen-1-one?
The IUPAC name of 2,2-difluoro-3,4,5,6,7,8-hexahydronaphthalen-1-one (CID 10845225) is 2,2-difluoro-3,4,5,6,7,8-hexahydronaphthalen-1-one.
What is the SMILES notation for 2,2-difluoro-3,4,5,6,7,8-hexahydronaphthalen-1-one?
The canonical SMILES for 2,2-difluoro-3,4,5,6,7,8-hexahydronaphthalen-1-one is O=C1C2=C(CCCC2)CCC1(F)F.
What is the InChIKey of 2,2-difluoro-3,4,5,6,7,8-hexahydronaphthalen-1-one?
The InChIKey is CNXIFKAESSPBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O/c11-10(12)6-5-7-3-1-2-4-8(7)9(10)13/h1-6H2.
What are the key properties of 2,2-difluoro-3,4,5,6,7,8-hexahydronaphthalen-1-one?
2,2-difluoro-3,4,5,6,7,8-hexahydronaphthalen-1-one has a molecular weight of 186.20 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3,4,5,6,7,8-hexahydronaphthalen-1-one is sourced from PubChem (CID 10845225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).