1-fluoro-2-[(E)-pent-3-enyl]-6-(4-pentylcyclohexyl)naphthalene

C26H35F — CID 139862905

IUPAC1-fluoro-2-[(E)-pent-3-enyl]-6-(4-pentylcyclohexyl)naphthalene
SMILESC/C=C/CCc1ccc2cc(C3CCC(CCCCC)CC3)ccc2c1F
InChIInChI=1S/C26H35F/c1-3-5-7-9-20-11-13-21(14-12-20)23-17-18-25-24(19-23)16-15-22(26(25)27)10-8-6-4-2/h4,6,15-21H,3,5,7-14H2,1-2H3/b6-4+
InChIKeyABZJUWUZPOCZGN-GQCTYLIASA-N
MW366.56 g/mol
LogP8.34
Rot. Bonds8

About 1-fluoro-2-[(E)-pent-3-enyl]-6-(4-pentylcyclohexyl)naphthalene

1-fluoro-2-[(E)-pent-3-enyl]-6-(4-pentylcyclohexyl)naphthalene (PubChem CID 139862905) has the molecular formula C26H35F and a molecular weight of 366.56 g/mol. Its IUPAC name is 1-fluoro-2-[(E)-pent-3-enyl]-6-(4-pentylcyclohexyl)naphthalene.

Molecular Properties

Compound Name1-fluoro-2-[(E)-pent-3-enyl]-6-(4-pentylcyclohexyl)naphthalene
PubChem CID139862905
Molecular FormulaC26H35F
Molecular Weight366.56 g/mol
Exact Mass366.27
IUPAC Name1-fluoro-2-[(E)-pent-3-enyl]-6-(4-pentylcyclohexyl)naphthalene
SMILESC/C=C/CCc1ccc2cc(C3CCC(CCCCC)CC3)ccc2c1F
InChIInChI=1S/C26H35F/c1-3-5-7-9-20-11-13-21(14-12-20)23-17-18-25-24(19-23)16-15-22(26(25)27)10-8-6-4-2/h4,6,15-21H,3,5,7-14H2,1-2H3/b6-4+
InChIKeyABZJUWUZPOCZGN-GQCTYLIASA-N
XLogP8.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.56
LogP ≤ 58.34
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'}

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Related Compounds

1-fluoro-6-(6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-[(E)-pent-3-enyl]naphthalene
CID 22383200
6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
CID 139860944
6-[4-[2-(4-but-3-enylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
CID 139863783
6-(4-but-3-enylcyclohexyl)-1-fluoro-2-pentylnaphthalene
CID 139860678
1-fluoro-6-[2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]ethynyl]-2-pentylnaphthalene
CID 139876757
1-fluoro-6-[4-[(E)-pent-3-enyl]cyclohexyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene
CID 139872751
2,3-difluoro-1-[4-[2-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]phenyl]-4-pent-3-enylbenzene
CID 77345418
1-fluoro-6-(4-pentylcyclohexyl)-2-(trifluoromethyl)naphthalene
CID 139856218
1-fluoro-6-(4-hexylcyclohexyl)naphthalen-2-ol
CID 139850039
6-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethynyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
CID 139876937
2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-(4-pentylcyclohexyl)naphthalene
CID 139870936
6-(4-ethylcyclohexyl)-1-fluoro-2-propylnaphthalene
CID 139864046

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[(E)-pent-3-enyl]-6-(4-pentylcyclohexyl)naphthalene?
The IUPAC name of 1-fluoro-2-[(E)-pent-3-enyl]-6-(4-pentylcyclohexyl)naphthalene (CID 139862905) is 1-fluoro-2-[(E)-pent-3-enyl]-6-(4-pentylcyclohexyl)naphthalene.
What is the SMILES notation for 1-fluoro-2-[(E)-pent-3-enyl]-6-(4-pentylcyclohexyl)naphthalene?
The canonical SMILES for 1-fluoro-2-[(E)-pent-3-enyl]-6-(4-pentylcyclohexyl)naphthalene is C/C=C/CCc1ccc2cc(C3CCC(CCCCC)CC3)ccc2c1F.
What is the InChIKey of 1-fluoro-2-[(E)-pent-3-enyl]-6-(4-pentylcyclohexyl)naphthalene?
The InChIKey is ABZJUWUZPOCZGN-GQCTYLIASA-N. The full InChI is InChI=1S/C26H35F/c1-3-5-7-9-20-11-13-21(14-12-20)23-17-18-25-24(19-23)16-15-22(26(25)27)10-8-6-4-2/h4,6,15-21H,3,5,7-14H2,1-2H3/b6-4+.
What are the key properties of 1-fluoro-2-[(E)-pent-3-enyl]-6-(4-pentylcyclohexyl)naphthalene?
1-fluoro-2-[(E)-pent-3-enyl]-6-(4-pentylcyclohexyl)naphthalene has a molecular weight of 366.56 g/mol, XLogP of 8.34, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[(E)-pent-3-enyl]-6-(4-pentylcyclohexyl)naphthalene is sourced from PubChem (CID 139862905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).