1-decyl-4-[4-(4,4-difluorobut-3-enyl)cyclohexyl]cyclohexane

C26H46F2 — CID 19842816

IUPAC1-decyl-4-[4-(4,4-difluorobut-3-enyl)cyclohexyl]cyclohexane
SMILESCCCCCCCCCCC1CCC(C2CCC(CCC=C(F)F)CC2)CC1
InChIInChI=1S/C26H46F2/c1-2-3-4-5-6-7-8-9-11-22-14-18-24(19-15-22)25-20-16-23(17-21-25)12-10-13-26(27)28/h13,22-25H,2-12,14-21H2,1H3
InChIKeyNNOZWOABDJNMCL-UHFFFAOYSA-N
MW396.65 g/mol
LogP9.69
Rot. Bonds13

About 1-decyl-4-[4-(4,4-difluorobut-3-enyl)cyclohexyl]cyclohexane

1-decyl-4-[4-(4,4-difluorobut-3-enyl)cyclohexyl]cyclohexane (PubChem CID 19842816) has the molecular formula C26H46F2 and a molecular weight of 396.65 g/mol. Its IUPAC name is 1-decyl-4-[4-(4,4-difluorobut-3-enyl)cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-decyl-4-[4-(4,4-difluorobut-3-enyl)cyclohexyl]cyclohexane
PubChem CID19842816
Molecular FormulaC26H46F2
Molecular Weight396.65 g/mol
Exact Mass396.36
IUPAC Name1-decyl-4-[4-(4,4-difluorobut-3-enyl)cyclohexyl]cyclohexane
SMILESCCCCCCCCCCC1CCC(C2CCC(CCC=C(F)F)CC2)CC1
InChIInChI=1S/C26H46F2/c1-2-3-4-5-6-7-8-9-11-22-14-18-24(19-15-22)25-20-16-23(17-21-25)12-10-13-26(27)28/h13,22-25H,2-12,14-21H2,1H3
InChIKeyNNOZWOABDJNMCL-UHFFFAOYSA-N
XLogP9.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.65
LogP ≤ 59.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385
1-butyl-4-[4-(4-decylcyclohexyl)cyclohexyl]cyclohexane
CID 54137563
1-hexyl-4-(4-propylcyclohexyl)cyclohexane
CID 19850461
1-[4-(3-fluoropropyl)cyclohexyl]-4-(4-octylcyclohexyl)cyclohexane
CID 54536291
1-[4-(3-fluoropropyl)cyclohexyl]-4-(4-heptylcyclohexyl)cyclohexane
CID 54105459
2-fluoro-5-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]pent-2-enenitrile
CID 54300257
1-methyl-4-[4-(4-nonylcyclohexyl)cyclohexyl]cyclohexane
CID 54248901
1-hexyl-4-(4-methylcyclohexyl)cyclohexane
CID 19850428
5-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]-2-[4-(4-pentylcyclohexyl)cyclohexyl]-1,3-dioxane
CID 20599929
1,4-dihexylcyclohexane
CID 22947938

Frequently Asked Questions

What is the IUPAC name of 1-decyl-4-[4-(4,4-difluorobut-3-enyl)cyclohexyl]cyclohexane?
The IUPAC name of 1-decyl-4-[4-(4,4-difluorobut-3-enyl)cyclohexyl]cyclohexane (CID 19842816) is 1-decyl-4-[4-(4,4-difluorobut-3-enyl)cyclohexyl]cyclohexane.
What is the SMILES notation for 1-decyl-4-[4-(4,4-difluorobut-3-enyl)cyclohexyl]cyclohexane?
The canonical SMILES for 1-decyl-4-[4-(4,4-difluorobut-3-enyl)cyclohexyl]cyclohexane is CCCCCCCCCCC1CCC(C2CCC(CCC=C(F)F)CC2)CC1.
What is the InChIKey of 1-decyl-4-[4-(4,4-difluorobut-3-enyl)cyclohexyl]cyclohexane?
The InChIKey is NNOZWOABDJNMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46F2/c1-2-3-4-5-6-7-8-9-11-22-14-18-24(19-15-22)25-20-16-23(17-21-25)12-10-13-26(27)28/h13,22-25H,2-12,14-21H2,1H3.
What are the key properties of 1-decyl-4-[4-(4,4-difluorobut-3-enyl)cyclohexyl]cyclohexane?
1-decyl-4-[4-(4,4-difluorobut-3-enyl)cyclohexyl]cyclohexane has a molecular weight of 396.65 g/mol, XLogP of 9.69, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-4-[4-(4,4-difluorobut-3-enyl)cyclohexyl]cyclohexane is sourced from PubChem (CID 19842816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).