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

C29H33F — CID 139861661

IUPAC6-ethyl-1-fluoro-2-[4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]phenyl]naphthalene
SMILESC/C=C/C1CCC(CCc2ccc(-c3ccc4cc(CC)ccc4c3F)cc2)CC1
InChIInChI=1S/C29H33F/c1-3-5-22-6-8-23(9-7-22)10-11-24-12-15-25(16-13-24)27-19-17-26-20-21(4-2)14-18-28(26)29(27)30/h3,5,12-20,22-23H,4,6-11H2,1-2H3/b5-3+
InChIKeyVJZDANSWLGKVGN-HWKANZROSA-N
MW400.58 g/mol
LogP8.52
Rot. Bonds6

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

6-ethyl-1-fluoro-2-[4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]phenyl]naphthalene (PubChem CID 139861661) has the molecular formula C29H33F and a molecular weight of 400.58 g/mol. Its IUPAC name is 6-ethyl-1-fluoro-2-[4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]phenyl]naphthalene.

Molecular Properties

Compound Name6-ethyl-1-fluoro-2-[4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]phenyl]naphthalene
PubChem CID139861661
Molecular FormulaC29H33F
Molecular Weight400.58 g/mol
Exact Mass400.26
IUPAC Name6-ethyl-1-fluoro-2-[4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]phenyl]naphthalene
SMILESC/C=C/C1CCC(CCc2ccc(-c3ccc4cc(CC)ccc4c3F)cc2)CC1
InChIInChI=1S/C29H33F/c1-3-5-22-6-8-23(9-7-22)10-11-24-12-15-25(16-13-24)27-19-17-26-20-21(4-2)14-18-28(26)29(27)30/h3,5,12-20,22-23H,4,6-11H2,1-2H3/b5-3+
InChIKeyVJZDANSWLGKVGN-HWKANZROSA-N
XLogP8.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.58
LogP ≤ 58.52
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

6-ethenyl-1-fluoro-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]naphthalene
CID 139861325
2-but-2-enoxy-1-fluoro-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene
CID 139862289
1-fluoro-2-prop-2-enoxy-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene
CID 139860513
6-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1-fluoro-2-propylnaphthalene
CID 139861143
6-ethyl-1-fluoro-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139863827
1-(2-fluoroethyl)-4-[4-[2-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene
CID 54416262
6-ethyl-1-fluoro-2-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]naphthalene
CID 139876172
3-ethenyl-1,2,8-trifluoro-7-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]naphthalene
CID 139861882
1-fluoro-2-pentyl-6-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]naphthalene
CID 139861681
1-fluoro-6-[2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexyl]ethyl]-2-propylnaphthalene
CID 139863231
2-ethyl-6-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]naphthalene
CID 139860723
2-[2-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]ethynyl]-1-fluoro-6-propylnaphthalene
CID 139876531

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-fluoro-2-[4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]phenyl]naphthalene?
The IUPAC name of 6-ethyl-1-fluoro-2-[4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]phenyl]naphthalene (CID 139861661) is 6-ethyl-1-fluoro-2-[4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]phenyl]naphthalene.
What is the SMILES notation for 6-ethyl-1-fluoro-2-[4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]phenyl]naphthalene?
The canonical SMILES for 6-ethyl-1-fluoro-2-[4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]phenyl]naphthalene is C/C=C/C1CCC(CCc2ccc(-c3ccc4cc(CC)ccc4c3F)cc2)CC1.
What is the InChIKey of 6-ethyl-1-fluoro-2-[4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]phenyl]naphthalene?
The InChIKey is VJZDANSWLGKVGN-HWKANZROSA-N. The full InChI is InChI=1S/C29H33F/c1-3-5-22-6-8-23(9-7-22)10-11-24-12-15-25(16-13-24)27-19-17-26-20-21(4-2)14-18-28(26)29(27)30/h3,5,12-20,22-23H,4,6-11H2,1-2H3/b5-3+.
What are the key properties of 6-ethyl-1-fluoro-2-[4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]phenyl]naphthalene?
6-ethyl-1-fluoro-2-[4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]phenyl]naphthalene has a molecular weight of 400.58 g/mol, XLogP of 8.52, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-fluoro-2-[4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]phenyl]naphthalene is sourced from PubChem (CID 139861661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).