1-decyl-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane

C24H42F2 — CID 19842728

IUPAC1-decyl-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane
SMILESCCCCCCCCCCC1CCC(C2CCC(C=C(F)F)CC2)CC1
InChIInChI=1S/C24H42F2/c1-2-3-4-5-6-7-8-9-10-20-11-15-22(16-12-20)23-17-13-21(14-18-23)19-24(25)26/h19-23H,2-18H2,1H3
InChIKeyYUBYNNUQQZAKLL-UHFFFAOYSA-N
MW368.60 g/mol
LogP8.91
Rot. Bonds11

About 1-decyl-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane

1-decyl-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane (PubChem CID 19842728) has the molecular formula C24H42F2 and a molecular weight of 368.60 g/mol. Its IUPAC name is 1-decyl-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-decyl-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane
PubChem CID19842728
Molecular FormulaC24H42F2
Molecular Weight368.60 g/mol
Exact Mass368.33
IUPAC Name1-decyl-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane
SMILESCCCCCCCCCCC1CCC(C2CCC(C=C(F)F)CC2)CC1
InChIInChI=1S/C24H42F2/c1-2-3-4-5-6-7-8-9-10-20-11-15-22(16-12-20)23-17-13-21(14-18-23)19-24(25)26/h19-23H,2-18H2,1H3
InChIKeyYUBYNNUQQZAKLL-UHFFFAOYSA-N
XLogP8.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.60
LogP ≤ 58.91
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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Frequently Asked Questions

What is the IUPAC name of 1-decyl-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane?
The IUPAC name of 1-decyl-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane (CID 19842728) is 1-decyl-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane.
What is the SMILES notation for 1-decyl-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane?
The canonical SMILES for 1-decyl-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane is CCCCCCCCCCC1CCC(C2CCC(C=C(F)F)CC2)CC1.
What is the InChIKey of 1-decyl-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane?
The InChIKey is YUBYNNUQQZAKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42F2/c1-2-3-4-5-6-7-8-9-10-20-11-15-22(16-12-20)23-17-13-21(14-18-23)19-24(25)26/h19-23H,2-18H2,1H3.
What are the key properties of 1-decyl-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane?
1-decyl-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane has a molecular weight of 368.60 g/mol, XLogP of 8.91, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane is sourced from PubChem (CID 19842728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).