2-fluoroprop-1-ene;6-hexyl-2-methyl-6-prop-2-enyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene

C21H37F — CID 143365227

IUPAC2-fluoroprop-1-ene;6-hexyl-2-methyl-6-prop-2-enyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene
SMILESC=C(C)F.C=CCC1(CCCCCC)CCC2CC(C)CC21
InChIInChI=1S/C18H32.C3H5F/c1-4-6-7-8-11-18(10-5-2)12-9-16-13-15(3)14-17(16)18;1-3(2)4/h5,15-17H,2,4,6-14H2,1,3H3;1H2,2H3
InChIKeyOGAREIDMZHVPCF-UHFFFAOYSA-N
MW308.53 g/mol
LogP7.46
Rot. Bonds7

About 2-fluoroprop-1-ene;6-hexyl-2-methyl-6-prop-2-enyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene

2-fluoroprop-1-ene;6-hexyl-2-methyl-6-prop-2-enyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene (PubChem CID 143365227) has the molecular formula C21H37F and a molecular weight of 308.53 g/mol. Its IUPAC name is 2-fluoroprop-1-ene;6-hexyl-2-methyl-6-prop-2-enyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene.

Molecular Properties

Compound Name2-fluoroprop-1-ene;6-hexyl-2-methyl-6-prop-2-enyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene
PubChem CID143365227
Molecular FormulaC21H37F
Molecular Weight308.53 g/mol
Exact Mass308.29
IUPAC Name2-fluoroprop-1-ene;6-hexyl-2-methyl-6-prop-2-enyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene
SMILESC=C(C)F.C=CCC1(CCCCCC)CCC2CC(C)CC21
InChIInChI=1S/C18H32.C3H5F/c1-4-6-7-8-11-18(10-5-2)12-9-16-13-15(3)14-17(16)18;1-3(2)4/h5,15-17H,2,4,6-14H2,1,3H3;1H2,2H3
InChIKeyOGAREIDMZHVPCF-UHFFFAOYSA-N
XLogP7.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.53
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-fluoroprop-1-ene;6-hexyl-2-methyl-6-prop-2-enyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-2-hexyl-2-prop-2-enylcyclopropyl]methanol
CID 102316504
1-octyl-1-prop-2-enylcyclopropane
CID 134979265
7-heptylbicyclo[4.1.0]heptan-7-ol
CID 79331994
1-ethenyl-2-hexylcyclopentan-1-ol
CID 118116896
4-methyl-1-pentylcyclohexan-1-ol
CID 65147316
1-decylcyclohexane-1,2-dicarboxylic acid;2-methylprop-1-ene
CID 159036419
3-heptyl-2-methyloxolan-3-ol
CID 82718796
2-octyladamantan-2-ol
CID 22603447
(3-hexyl-2-methyloxolan-3-yl)methanol
CID 114535546
(1-pentyl-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-yl) prop-2-enoate
CID 164546613
heptadecane;hypofluorous acid
CID 158426244
[(2R)-2-butyl-2-prop-2-enylcyclopropyl]benzene
CID 101032196

Frequently Asked Questions

What is the IUPAC name of 2-fluoroprop-1-ene;6-hexyl-2-methyl-6-prop-2-enyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene?
The IUPAC name of 2-fluoroprop-1-ene;6-hexyl-2-methyl-6-prop-2-enyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene (CID 143365227) is 2-fluoroprop-1-ene;6-hexyl-2-methyl-6-prop-2-enyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene.
What is the SMILES notation for 2-fluoroprop-1-ene;6-hexyl-2-methyl-6-prop-2-enyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene?
The canonical SMILES for 2-fluoroprop-1-ene;6-hexyl-2-methyl-6-prop-2-enyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene is C=C(C)F.C=CCC1(CCCCCC)CCC2CC(C)CC21.
What is the InChIKey of 2-fluoroprop-1-ene;6-hexyl-2-methyl-6-prop-2-enyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene?
The InChIKey is OGAREIDMZHVPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32.C3H5F/c1-4-6-7-8-11-18(10-5-2)12-9-16-13-15(3)14-17(16)18;1-3(2)4/h5,15-17H,2,4,6-14H2,1,3H3;1H2,2H3.
What are the key properties of 2-fluoroprop-1-ene;6-hexyl-2-methyl-6-prop-2-enyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene?
2-fluoroprop-1-ene;6-hexyl-2-methyl-6-prop-2-enyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene has a molecular weight of 308.53 g/mol, XLogP of 7.46, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroprop-1-ene;6-hexyl-2-methyl-6-prop-2-enyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene is sourced from PubChem (CID 143365227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).