1,2-difluoro-7-pentyl-3-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene

C32H46F2 — CID 139863451

IUPAC1,2-difluoro-7-pentyl-3-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
SMILESCCCCCc1ccc2cc(CCC3CCC(C4CCC(CCC)CC4)CC3)c(F)c(F)c2c1
InChIInChI=1S/C32H46F2/c1-3-5-6-8-25-14-19-28-22-29(31(33)32(34)30(28)21-25)20-13-24-11-17-27(18-12-24)26-15-9-23(7-4-2)10-16-26/h14,19,21-24,26-27H,3-13,15-18,20H2,1-2H3
InChIKeyUZXUCAFYVNSADG-UHFFFAOYSA-N
MW468.72 g/mol
LogP10.20
Rot. Bonds10

About 1,2-difluoro-7-pentyl-3-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene

1,2-difluoro-7-pentyl-3-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene (PubChem CID 139863451) has the molecular formula C32H46F2 and a molecular weight of 468.72 g/mol. Its IUPAC name is 1,2-difluoro-7-pentyl-3-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene.

Molecular Properties

Compound Name1,2-difluoro-7-pentyl-3-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
PubChem CID139863451
Molecular FormulaC32H46F2
Molecular Weight468.72 g/mol
Exact Mass468.36
IUPAC Name1,2-difluoro-7-pentyl-3-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
SMILESCCCCCc1ccc2cc(CCC3CCC(C4CCC(CCC)CC4)CC3)c(F)c(F)c2c1
InChIInChI=1S/C32H46F2/c1-3-5-6-8-25-14-19-28-22-29(31(33)32(34)30(28)21-25)20-13-24-11-17-27(18-12-24)26-15-9-23(7-4-2)10-16-26/h14,19,21-24,26-27H,3-13,15-18,20H2,1-2H3
InChIKeyUZXUCAFYVNSADG-UHFFFAOYSA-N
XLogP10.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.72
LogP ≤ 510.20
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

1,2-difluoro-3-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]-7-propylnaphthalene
CID 139860799
1-fluoro-2-pentyl-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139861477
3-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-1,2-difluoro-7-propylnaphthalene
CID 139861865
2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-1-fluoro-6-pentylnaphthalene
CID 139861709
2,3-difluoro-1-pentyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene;2,3-difluoro-1-propyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene
CID 158295310
1,2-difluoro-3-[4-(4-pentylcyclohexyl)cyclohexyl]-7-propylnaphthalene
CID 139863384
6-ethyl-1-fluoro-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139863827
1-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-2,3-difluoro-4-pentylbenzene
CID 135193369
1-but-3-enyl-4-(4-propylcyclohexyl)cyclohexane;3-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-7-ethoxy-1,2-difluoronaphthalene;1-ethenyl-4-(4-pentylcyclohexyl)cyclohexane
CID 160986284
1-fluoro-2-pentyl-6-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]naphthalene
CID 139861681
1-fluoro-6-[(E)-pent-3-enyl]-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139863817
1-fluoro-2-methoxy-6-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139863128

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-7-pentyl-3-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene?
The IUPAC name of 1,2-difluoro-7-pentyl-3-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene (CID 139863451) is 1,2-difluoro-7-pentyl-3-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene.
What is the SMILES notation for 1,2-difluoro-7-pentyl-3-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene?
The canonical SMILES for 1,2-difluoro-7-pentyl-3-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene is CCCCCc1ccc2cc(CCC3CCC(C4CCC(CCC)CC4)CC3)c(F)c(F)c2c1.
What is the InChIKey of 1,2-difluoro-7-pentyl-3-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene?
The InChIKey is UZXUCAFYVNSADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46F2/c1-3-5-6-8-25-14-19-28-22-29(31(33)32(34)30(28)21-25)20-13-24-11-17-27(18-12-24)26-15-9-23(7-4-2)10-16-26/h14,19,21-24,26-27H,3-13,15-18,20H2,1-2H3.
What are the key properties of 1,2-difluoro-7-pentyl-3-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene?
1,2-difluoro-7-pentyl-3-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene has a molecular weight of 468.72 g/mol, XLogP of 10.20, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-7-pentyl-3-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene is sourced from PubChem (CID 139863451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).