1,2-difluoro-3-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]-7-propylnaphthalene

C32H46F2 — CID 139860799

IUPAC1,2-difluoro-3-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]-7-propylnaphthalene
SMILESCCCCCC1CCC(C2CCC(CCc3cc4ccc(CCC)cc4c(F)c3F)CC2)CC1
InChIInChI=1S/C32H46F2/c1-3-5-6-8-23-9-15-26(16-10-23)27-17-11-24(12-18-27)13-20-29-22-28-19-14-25(7-4-2)21-30(28)32(34)31(29)33/h14,19,21-24,26-27H,3-13,15-18,20H2,1-2H3
InChIKeySWTFNCQALCTGMK-UHFFFAOYSA-N
MW468.72 g/mol
LogP10.20
Rot. Bonds10

About 1,2-difluoro-3-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]-7-propylnaphthalene

1,2-difluoro-3-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]-7-propylnaphthalene (PubChem CID 139860799) has the molecular formula C32H46F2 and a molecular weight of 468.72 g/mol. Its IUPAC name is 1,2-difluoro-3-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]-7-propylnaphthalene.

Molecular Properties

Compound Name1,2-difluoro-3-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]-7-propylnaphthalene
PubChem CID139860799
Molecular FormulaC32H46F2
Molecular Weight468.72 g/mol
Exact Mass468.36
IUPAC Name1,2-difluoro-3-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]-7-propylnaphthalene
SMILESCCCCCC1CCC(C2CCC(CCc3cc4ccc(CCC)cc4c(F)c3F)CC2)CC1
InChIInChI=1S/C32H46F2/c1-3-5-6-8-23-9-15-26(16-10-23)27-17-11-24(12-18-27)13-20-29-22-28-19-14-25(7-4-2)21-30(28)32(34)31(29)33/h14,19,21-24,26-27H,3-13,15-18,20H2,1-2H3
InChIKeySWTFNCQALCTGMK-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-7-pentyl-3-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139863451
3-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-1,2-difluoro-7-propylnaphthalene
CID 139861865
1,2-difluoro-3-[4-(4-pentylcyclohexyl)cyclohexyl]-7-propylnaphthalene
CID 139863384
2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-1-fluoro-6-pentylnaphthalene
CID 139861709
1-fluoro-2-methoxy-6-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139863128
1-fluoro-2-pentyl-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139861477
2-but-3-enyl-1-fluoro-6-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139862364
1,2-difluoro-7-methoxy-3-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]naphthalene
CID 139863663
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
4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-1,2-difluorobenzene
CID 14993441
1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-(4-pentylcyclohexyl)ethyl]naphthalene
CID 139873920
3-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1,2-difluoro-7-propylnaphthalene
CID 139863228

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]-7-propylnaphthalene?
The IUPAC name of 1,2-difluoro-3-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]-7-propylnaphthalene (CID 139860799) is 1,2-difluoro-3-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]-7-propylnaphthalene.
What is the SMILES notation for 1,2-difluoro-3-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]-7-propylnaphthalene?
The canonical SMILES for 1,2-difluoro-3-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]-7-propylnaphthalene is CCCCCC1CCC(C2CCC(CCc3cc4ccc(CCC)cc4c(F)c3F)CC2)CC1.
What is the InChIKey of 1,2-difluoro-3-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]-7-propylnaphthalene?
The InChIKey is SWTFNCQALCTGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46F2/c1-3-5-6-8-23-9-15-26(16-10-23)27-17-11-24(12-18-27)13-20-29-22-28-19-14-25(7-4-2)21-30(28)32(34)31(29)33/h14,19,21-24,26-27H,3-13,15-18,20H2,1-2H3.
What are the key properties of 1,2-difluoro-3-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]-7-propylnaphthalene?
1,2-difluoro-3-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]-7-propylnaphthalene 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-3-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]-7-propylnaphthalene is sourced from PubChem (CID 139860799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).