1,3-difluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]-5-(4-propylcyclohexyl)cyclohexane

C24H40F2 — CID 71163863

IUPAC1,3-difluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]-5-(4-propylcyclohexyl)cyclohexane
SMILESC/C=C/C1CCC(C2C(F)CC(C3CCC(CCC)CC3)CC2F)CC1
InChIInChI=1S/C24H40F2/c1-3-5-17-7-11-19(12-8-17)21-15-22(25)24(23(26)16-21)20-13-9-18(6-4-2)10-14-20/h4,6,17-24H,3,5,7-16H2,1-2H3/b6-4+
InChIKeyMEJPFKUFXSSKKZ-GQCTYLIASA-N
MW366.58 g/mol
LogP7.68
Rot. Bonds5

About 1,3-difluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]-5-(4-propylcyclohexyl)cyclohexane

1,3-difluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]-5-(4-propylcyclohexyl)cyclohexane (PubChem CID 71163863) has the molecular formula C24H40F2 and a molecular weight of 366.58 g/mol. Its IUPAC name is 1,3-difluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]-5-(4-propylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1,3-difluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]-5-(4-propylcyclohexyl)cyclohexane
PubChem CID71163863
Molecular FormulaC24H40F2
Molecular Weight366.58 g/mol
Exact Mass366.31
IUPAC Name1,3-difluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]-5-(4-propylcyclohexyl)cyclohexane
SMILESC/C=C/C1CCC(C2C(F)CC(C3CCC(CCC)CC3)CC2F)CC1
InChIInChI=1S/C24H40F2/c1-3-5-17-7-11-19(12-8-17)21-15-22(25)24(23(26)16-21)20-13-9-18(6-4-2)10-14-20/h4,6,17-24H,3,5,7-16H2,1-2H3/b6-4+
InChIKeyMEJPFKUFXSSKKZ-GQCTYLIASA-N
XLogP7.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.58
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-prop-1-enyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane
CID 54574523
1-[(E)-prop-1-enyl]-4-[(4-propylcyclohexyl)methyl]cyclohexane
CID 143761309
1-pentyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
CID 20594578
1-prop-1-enyl-4-[(Z)-4-(4-propylcyclohexyl)but-2-enyl]cyclohexane
CID 173281372
1-(3-fluoropropyl)-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
CID 70907603
1-butyl-4-[(E)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]cyclohexane
CID 139659740
1-cyclopropyl-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methyl]cyclohexane
CID 158220965
1-pent-3-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane
CID 54021593
1-(4-fluorobut-1-enyl)-4-(4-propylcyclohexyl)cyclohexane
CID 54464983
2-ethynyl-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane
CID 88888479
1-[(1E)-buta-1,3-dienyl]-4-(4-propylcyclohexyl)cyclohexane
CID 22915763
1-(4-pentylcyclohexyl)-4-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-1-enyl]cyclohexane
CID 19070151

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]-5-(4-propylcyclohexyl)cyclohexane?
The IUPAC name of 1,3-difluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]-5-(4-propylcyclohexyl)cyclohexane (CID 71163863) is 1,3-difluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]-5-(4-propylcyclohexyl)cyclohexane.
What is the SMILES notation for 1,3-difluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]-5-(4-propylcyclohexyl)cyclohexane?
The canonical SMILES for 1,3-difluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]-5-(4-propylcyclohexyl)cyclohexane is C/C=C/C1CCC(C2C(F)CC(C3CCC(CCC)CC3)CC2F)CC1.
What is the InChIKey of 1,3-difluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]-5-(4-propylcyclohexyl)cyclohexane?
The InChIKey is MEJPFKUFXSSKKZ-GQCTYLIASA-N. The full InChI is InChI=1S/C24H40F2/c1-3-5-17-7-11-19(12-8-17)21-15-22(25)24(23(26)16-21)20-13-9-18(6-4-2)10-14-20/h4,6,17-24H,3,5,7-16H2,1-2H3/b6-4+.
What are the key properties of 1,3-difluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]-5-(4-propylcyclohexyl)cyclohexane?
1,3-difluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]-5-(4-propylcyclohexyl)cyclohexane has a molecular weight of 366.58 g/mol, XLogP of 7.68, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]-5-(4-propylcyclohexyl)cyclohexane is sourced from PubChem (CID 71163863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).