1,2-difluoro-3-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-7-pentylnaphthalene

C34H48F2 — CID 139860614

IUPAC1,2-difluoro-3-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-7-pentylnaphthalene
SMILESCCC/C=C/C1CCC(CCC2CCC(c3cc4ccc(CCCCC)cc4c(F)c3F)CC2)CC1
InChIInChI=1S/C34H48F2/c1-3-5-7-9-25-11-13-26(14-12-25)15-16-27-17-20-29(21-18-27)32-24-30-22-19-28(10-8-6-4-2)23-31(30)33(35)34(32)36/h7,9,19,22-27,29H,3-6,8,10-18,20-21H2,1-2H3/b9-7+
InChIKeyGDQAJQSVRIPNHM-VQHVLOKHSA-N
MW494.75 g/mol
LogP11.07
Rot. Bonds11

About 1,2-difluoro-3-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-7-pentylnaphthalene

1,2-difluoro-3-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-7-pentylnaphthalene (PubChem CID 139860614) has the molecular formula C34H48F2 and a molecular weight of 494.75 g/mol. Its IUPAC name is 1,2-difluoro-3-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-7-pentylnaphthalene.

Molecular Properties

Compound Name1,2-difluoro-3-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-7-pentylnaphthalene
PubChem CID139860614
Molecular FormulaC34H48F2
Molecular Weight494.75 g/mol
Exact Mass494.37
IUPAC Name1,2-difluoro-3-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-7-pentylnaphthalene
SMILESCCC/C=C/C1CCC(CCC2CCC(c3cc4ccc(CCCCC)cc4c(F)c3F)CC2)CC1
InChIInChI=1S/C34H48F2/c1-3-5-7-9-25-11-13-26(14-12-25)15-16-27-17-20-29(21-18-27)32-24-30-22-19-28(10-8-6-4-2)23-31(30)33(35)34(32)36/h7,9,19,22-27,29H,3-6,8,10-18,20-21H2,1-2H3/b9-7+
InChIKeyGDQAJQSVRIPNHM-VQHVLOKHSA-N
XLogP11.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.75
LogP ≤ 511.07
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 1,2-difluoro-3-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-7-pentylnaphthalene with MolForge

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Related Compounds

2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-pentylnaphthalene
CID 139861782
1,2-difluoro-3-[4-(4-pentylcyclohexyl)cyclohexyl]-7-propylnaphthalene
CID 139863384
1,2-difluoro-7-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]-3-pentylnaphthalene
CID 139861566
3-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1,2-difluoro-7-propylnaphthalene
CID 139863228
2-(4-but-3-enylcyclohexyl)-1-fluoro-6-pentylnaphthalene
CID 139863041
2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]-6-pentylnaphthalene
CID 139864116
1-fluoro-6-[(E)-pent-3-enyl]-2-[4-[(E)-pent-1-enyl]cyclohexyl]naphthalene
CID 139860894
1-fluoro-2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene
CID 139861475
2,3-difluoro-1-[2-[4-(2-fluoro-4-pentylphenyl)cyclohexyl]ethenyl]-4-(4-propylcyclohexyl)benzene
CID 77470253
1,2-difluoro-7-methoxy-3-(4-pentylcyclohexyl)naphthalene
CID 139864071
1,2-difluoro-7-pentyl-3-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139863451
3-(4-ethenylcyclohexyl)-7-ethyl-1,2-difluoronaphthalene
CID 139862965

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-7-pentylnaphthalene?
The IUPAC name of 1,2-difluoro-3-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-7-pentylnaphthalene (CID 139860614) is 1,2-difluoro-3-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-7-pentylnaphthalene.
What is the SMILES notation for 1,2-difluoro-3-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-7-pentylnaphthalene?
The canonical SMILES for 1,2-difluoro-3-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-7-pentylnaphthalene is CCC/C=C/C1CCC(CCC2CCC(c3cc4ccc(CCCCC)cc4c(F)c3F)CC2)CC1.
What is the InChIKey of 1,2-difluoro-3-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-7-pentylnaphthalene?
The InChIKey is GDQAJQSVRIPNHM-VQHVLOKHSA-N. The full InChI is InChI=1S/C34H48F2/c1-3-5-7-9-25-11-13-26(14-12-25)15-16-27-17-20-29(21-18-27)32-24-30-22-19-28(10-8-6-4-2)23-31(30)33(35)34(32)36/h7,9,19,22-27,29H,3-6,8,10-18,20-21H2,1-2H3/b9-7+.
What are the key properties of 1,2-difluoro-3-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-7-pentylnaphthalene?
1,2-difluoro-3-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-7-pentylnaphthalene has a molecular weight of 494.75 g/mol, XLogP of 11.07, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-7-pentylnaphthalene is sourced from PubChem (CID 139860614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).