1,6-difluoro-3,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C12H20F2 — CID 140635472

IUPAC1,6-difluoro-3,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCC1CC(F)C2CC(C)C(F)CC2C1
InChIInChI=1S/C12H20F2/c1-7-3-9-6-11(13)8(2)5-10(9)12(14)4-7/h7-12H,3-6H2,1-2H3
InChIKeyRYRRGSBCMDYMSF-UHFFFAOYSA-N
MW202.29 g/mol
LogP3.75
Rot. Bonds

About 1,6-difluoro-3,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

1,6-difluoro-3,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 140635472) has the molecular formula C12H20F2 and a molecular weight of 202.29 g/mol. Its IUPAC name is 1,6-difluoro-3,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name1,6-difluoro-3,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID140635472
Molecular FormulaC12H20F2
Molecular Weight202.29 g/mol
Exact Mass202.15
IUPAC Name1,6-difluoro-3,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCC1CC(F)C2CC(C)C(F)CC2C1
InChIInChI=1S/C12H20F2/c1-7-3-9-6-11(13)8(2)5-10(9)12(14)4-7/h7-12H,3-6H2,1-2H3
InChIKeyRYRRGSBCMDYMSF-UHFFFAOYSA-N
XLogP3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

cis-(1S,4R)-1-fluoro-2,4-dimethylcyclopentane
CID 169143039
1-cyclobutyl-4-fluoro-2,5-dimethylcyclohexane
CID 155058601
cis-(4R,5S)-1-fluoro-2,4,5-trimethylcyclohexane
CID 122693333
1,2-difluoro-3,5-dimethylcyclohexane
CID 89171069
4-fluoro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;propane
CID 172615254
1-(3,4-dimethylcyclohexyl)-2-fluoro-4-(2-fluoro-4-methylcyclohexyl)cyclohexane;2-fluoro-1-[3-fluoro-4-(4-methylcyclohexyl)cyclohexyl]-4-methylcyclohexane;2-fluoro-1-(3-fluoro-4-methylcyclohexyl)-4-(4-methylcyclohexyl)cyclohexane;2-fluoro-4-(3-fluoro-4-methylcyclohexyl)-1-(4-methylcyclohexyl)cyclohexane;dodecahydrate
CID 158122685
bis(1,3-difluoro-2,5-dimethylcyclohexane);1,4-dimethylcyclohexane;bis(2-fluoro-1,4-dimethylcyclohexane);pentahydrate
CID 159094413
1,3-difluoro-5-[2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-2-iodocyclohexane
CID 118887189
6-ethyl-3-methylbicyclo[3.2.0]heptane
CID 147399141
(2S,5R,7R)-2,5,7-trimethylbicyclo[2.2.2]octane
CID 162406126
(1S,2S,4R)-2-fluoro-4-methylcyclopentan-1-ol
CID 176837705
2-fluoro-1,4-bis(4-methylcyclohexyl)cyclohexane;methane;trihydrate
CID 158971717

Frequently Asked Questions

What is the IUPAC name of 1,6-difluoro-3,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 1,6-difluoro-3,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 140635472) is 1,6-difluoro-3,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 1,6-difluoro-3,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 1,6-difluoro-3,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is CC1CC(F)C2CC(C)C(F)CC2C1.
What is the InChIKey of 1,6-difluoro-3,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is RYRRGSBCMDYMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2/c1-7-3-9-6-11(13)8(2)5-10(9)12(14)4-7/h7-12H,3-6H2,1-2H3.
What are the key properties of 1,6-difluoro-3,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
1,6-difluoro-3,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 202.29 g/mol, XLogP of 3.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-difluoro-3,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 140635472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).