1-fluoro-2-pentyl-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene

C32H39F — CID 139863811

IUPAC1-fluoro-2-pentyl-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene
SMILESC/C=C/C1CCC(c2ccc(CCc3ccc4c(F)c(CCCCC)ccc4c3)cc2)CC1
InChIInChI=1S/C32H39F/c1-3-5-6-8-29-20-21-30-23-26(15-22-31(30)32(29)33)10-9-25-13-18-28(19-14-25)27-16-11-24(7-4-2)12-17-27/h4,7,13-15,18-24,27H,3,5-6,8-12,16-17H2,1-2H3/b7-4+
InChIKeyGFQUUSLNWMTOQR-QPJJXVBHSA-N
MW442.66 g/mol
LogP9.35
Rot. Bonds9

About 1-fluoro-2-pentyl-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene

1-fluoro-2-pentyl-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene (PubChem CID 139863811) has the molecular formula C32H39F and a molecular weight of 442.66 g/mol. Its IUPAC name is 1-fluoro-2-pentyl-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene.

Molecular Properties

Compound Name1-fluoro-2-pentyl-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene
PubChem CID139863811
Molecular FormulaC32H39F
Molecular Weight442.66 g/mol
Exact Mass442.30
IUPAC Name1-fluoro-2-pentyl-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene
SMILESC/C=C/C1CCC(c2ccc(CCc3ccc4c(F)c(CCCCC)ccc4c3)cc2)CC1
InChIInChI=1S/C32H39F/c1-3-5-6-8-29-20-21-30-23-26(15-22-31(30)32(29)33)10-9-25-13-18-28(19-14-25)27-16-11-24(7-4-2)12-17-27/h4,7,13-15,18-24,27H,3,5-6,8-12,16-17H2,1-2H3/b7-4+
InChIKeyGFQUUSLNWMTOQR-QPJJXVBHSA-N
XLogP9.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.66
LogP ≤ 59.35
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-fluoro-2-pentyl-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-difluoro-7-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]-3-pentylnaphthalene
CID 139861566
2-ethyl-6-[2-[4-(4-ethylcyclohexyl)phenyl]ethyl]-1-fluoronaphthalene
CID 139861214
1-pentyl-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 169027149
2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]-6-pentylnaphthalene
CID 139864116
6-but-2-enoxy-1-fluoro-2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene
CID 139864218
1-fluoro-6-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]-2-pentylnaphthalene
CID 139877253
1,2-difluoro-6-[4-(4-hexylphenyl)cyclohexyl]naphthalene
CID 139846714
1-fluoro-6-[2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]ethynyl]-2-pentylnaphthalene
CID 139876757
6-(4-but-3-enylcyclohexyl)-1-fluoro-2-pentylnaphthalene
CID 139860678
1-fluoro-2-[(E)-pent-3-enyl]-6-(4-pentylcyclohexyl)naphthalene
CID 139862905
1-[4-[(E)-2-fluoroethenyl]cyclohexyl]-4-pentylbenzene
CID 19798701
1-fluoro-2-pentyl-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139861477

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-pentyl-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene?
The IUPAC name of 1-fluoro-2-pentyl-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene (CID 139863811) is 1-fluoro-2-pentyl-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene.
What is the SMILES notation for 1-fluoro-2-pentyl-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene?
The canonical SMILES for 1-fluoro-2-pentyl-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene is C/C=C/C1CCC(c2ccc(CCc3ccc4c(F)c(CCCCC)ccc4c3)cc2)CC1.
What is the InChIKey of 1-fluoro-2-pentyl-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene?
The InChIKey is GFQUUSLNWMTOQR-QPJJXVBHSA-N. The full InChI is InChI=1S/C32H39F/c1-3-5-6-8-29-20-21-30-23-26(15-22-31(30)32(29)33)10-9-25-13-18-28(19-14-25)27-16-11-24(7-4-2)12-17-27/h4,7,13-15,18-24,27H,3,5-6,8-12,16-17H2,1-2H3/b7-4+.
What are the key properties of 1-fluoro-2-pentyl-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene?
1-fluoro-2-pentyl-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene has a molecular weight of 442.66 g/mol, XLogP of 9.35, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-pentyl-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene is sourced from PubChem (CID 139863811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).