2-[(E)-3-fluoroprop-2-enyl]-6-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C20H33F — CID 22983403

IUPAC2-[(E)-3-fluoroprop-2-enyl]-6-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCC1CCC(C2CCC3CC(C/C=C/F)CCC3C2)CC1
InChIInChI=1S/C20H33F/c1-15-4-7-17(8-5-15)19-11-10-18-13-16(3-2-12-21)6-9-20(18)14-19/h2,12,15-20H,3-11,13-14H2,1H3/b12-2+
InChIKeyRHHXGHVMIHOCPQ-SWGQDTFXSA-N
MW292.48 g/mol
LogP6.52
Rot. Bonds3

About 2-[(E)-3-fluoroprop-2-enyl]-6-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

2-[(E)-3-fluoroprop-2-enyl]-6-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 22983403) has the molecular formula C20H33F and a molecular weight of 292.48 g/mol. Its IUPAC name is 2-[(E)-3-fluoroprop-2-enyl]-6-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name2-[(E)-3-fluoroprop-2-enyl]-6-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID22983403
Molecular FormulaC20H33F
Molecular Weight292.48 g/mol
Exact Mass292.26
IUPAC Name2-[(E)-3-fluoroprop-2-enyl]-6-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCC1CCC(C2CCC3CC(C/C=C/F)CCC3C2)CC1
InChIInChI=1S/C20H33F/c1-15-4-7-17(8-5-15)19-11-10-18-13-16(3-2-12-21)6-9-20(18)14-19/h2,12,15-20H,3-11,13-14H2,1H3/b12-2+
InChIKeyRHHXGHVMIHOCPQ-SWGQDTFXSA-N
XLogP6.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.48
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(E)-but-2-enyl]-4-(4-methylcyclohexyl)cyclohexane
CID 20734074
1-[(2E,4E)-hexa-2,4-dienyl]-4-(4-methylcyclohexyl)cyclohexane
CID 20714863
(2S)-1-[3-[3-(3-cyclobutylcyclopentyl)cyclopentyl]cyclopentyl]-3-[3-[3-(4-methylcyclohexyl)cyclobutyl]cyclopentyl]propan-2-amine
CID 130424425
2-propyl-6-[4-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139866438
1-[2-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]prop-1-enyl]-4-[2-(4-methylcyclohexyl)ethenyl]cyclohexane
CID 59950184
1-ethyl-4-(4-methylcyclohexyl)cyclohexane
CID 19850420
1-[4-[4-(3-fluoroprop-2-enyl)cyclohexyl]cyclohexyl]-4-propylbenzene
CID 57115523
3-propylbicyclo[4.2.0]octane
CID 145186098
6-methyl-1,3-bis(4-methylcyclooctyl)cyclooctane;methylcyclooctane
CID 162228402
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958
2-methyl-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22886811
[4-(3-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulen-7-yl)cyclohexyl]methanol
CID 134271074

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-fluoroprop-2-enyl]-6-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 2-[(E)-3-fluoroprop-2-enyl]-6-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 22983403) is 2-[(E)-3-fluoroprop-2-enyl]-6-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 2-[(E)-3-fluoroprop-2-enyl]-6-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 2-[(E)-3-fluoroprop-2-enyl]-6-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is CC1CCC(C2CCC3CC(C/C=C/F)CCC3C2)CC1.
What is the InChIKey of 2-[(E)-3-fluoroprop-2-enyl]-6-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is RHHXGHVMIHOCPQ-SWGQDTFXSA-N. The full InChI is InChI=1S/C20H33F/c1-15-4-7-17(8-5-15)19-11-10-18-13-16(3-2-12-21)6-9-20(18)14-19/h2,12,15-20H,3-11,13-14H2,1H3/b12-2+.
What are the key properties of 2-[(E)-3-fluoroprop-2-enyl]-6-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
2-[(E)-3-fluoroprop-2-enyl]-6-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 292.48 g/mol, XLogP of 6.52, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-fluoroprop-2-enyl]-6-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 22983403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).