2-methyl-6-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C20H30F4 — CID 58665446

IUPAC2-methyl-6-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCC1CCC2CC(C3CCC(C=C(F)C(F)(F)F)CC3)CCC2C1
InChIInChI=1S/C20H30F4/c1-13-2-5-18-12-17(9-8-16(18)10-13)15-6-3-14(4-7-15)11-19(21)20(22,23)24/h11,13-18H,2-10,12H2,1H3
InChIKeyHVYOJHIKSFTDER-UHFFFAOYSA-N
MW346.45 g/mol
LogP7.06
Rot. Bonds2

About 2-methyl-6-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

2-methyl-6-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 58665446) has the molecular formula C20H30F4 and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-methyl-6-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name2-methyl-6-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID58665446
Molecular FormulaC20H30F4
Molecular Weight346.45 g/mol
Exact Mass346.23
IUPAC Name2-methyl-6-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCC1CCC2CC(C3CCC(C=C(F)C(F)(F)F)CC3)CCC2C1
InChIInChI=1S/C20H30F4/c1-13-2-5-18-12-17(9-8-16(18)10-13)15-6-3-14(4-7-15)11-19(21)20(22,23)24/h11,13-18H,2-10,12H2,1H3
InChIKeyHVYOJHIKSFTDER-UHFFFAOYSA-N
XLogP7.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.45
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-methyl-6-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene with MolForge

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Related Compounds

(1S,2R,8S,10aR,12aS)-1,8-difluoro-2,10a,12a-trimethyl-1,2,3,4,4a,4b,5,7,8,9,10,10b,11,12-tetradecahydrochrysene
CID 54596718
1,4-Ethanonaphthalene, 1,2,3,4,9,9,10,10-octafluoro-1,4,4a,5,6,7,8,8a-octahydro-
CID 549032
1,4:5,8-Diethanonaphthalene, 1,4,5,8,9,9,10,10,11,11,12,12-dodecafluoro-1,4,4a,5,8,8a-hexahydro-2,3-dimethyl-
CID 588499
(2S,4aS,8aR)-2-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 10516029
(2R,4aR,8aR)-2-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 10539814
(1R,4aS,8aS)-1-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 10730595
(4aR,6R,8aR)-2-(2,2-difluoroethenyl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20807965
(2R,4aR)-2-(2,2-difluoroethenyl)-6-(4-pentylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20810901
3-(4-Propylcyclohexyl)-7-(trifluoromethyl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene
CID 20810923
2-(2,2-Difluoroethenyl)-6-(4-pentylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22352801
2-(2,2-Difluoroethenyl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22384105
2-(3,3-Difluoroprop-2-enyl)-6-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22983402

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 2-methyl-6-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 58665446) is 2-methyl-6-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 2-methyl-6-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 2-methyl-6-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is CC1CCC2CC(C3CCC(C=C(F)C(F)(F)F)CC3)CCC2C1.
What is the InChIKey of 2-methyl-6-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is HVYOJHIKSFTDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30F4/c1-13-2-5-18-12-17(9-8-16(18)10-13)15-6-3-14(4-7-15)11-19(21)20(22,23)24/h11,13-18H,2-10,12H2,1H3.
What are the key properties of 2-methyl-6-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
2-methyl-6-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 346.45 g/mol, XLogP of 7.06, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 58665446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).