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

C26H33F — CID 139860894

IUPAC1-fluoro-6-[(E)-pent-3-enyl]-2-[4-[(E)-pent-1-enyl]cyclohexyl]naphthalene
SMILESC/C=C/CCc1ccc2c(F)c(C3CCC(/C=C/CCC)CC3)ccc2c1
InChIInChI=1S/C26H33F/c1-3-5-7-9-20-11-14-22(15-12-20)24-18-16-23-19-21(10-8-6-4-2)13-17-25(23)26(24)27/h4,6-7,9,13,16-20,22H,3,5,8,10-12,14-15H2,1-2H3/b6-4+,9-7+
InChIKeyPJNWJJFWUJPGGR-ADIUVMHLSA-N
MW364.55 g/mol
LogP8.12
Rot. Bonds7

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

1-fluoro-6-[(E)-pent-3-enyl]-2-[4-[(E)-pent-1-enyl]cyclohexyl]naphthalene (PubChem CID 139860894) has the molecular formula C26H33F and a molecular weight of 364.55 g/mol. Its IUPAC name is 1-fluoro-6-[(E)-pent-3-enyl]-2-[4-[(E)-pent-1-enyl]cyclohexyl]naphthalene.

Molecular Properties

Compound Name1-fluoro-6-[(E)-pent-3-enyl]-2-[4-[(E)-pent-1-enyl]cyclohexyl]naphthalene
PubChem CID139860894
Molecular FormulaC26H33F
Molecular Weight364.55 g/mol
Exact Mass364.26
IUPAC Name1-fluoro-6-[(E)-pent-3-enyl]-2-[4-[(E)-pent-1-enyl]cyclohexyl]naphthalene
SMILESC/C=C/CCc1ccc2c(F)c(C3CCC(/C=C/CCC)CC3)ccc2c1
InChIInChI=1S/C26H33F/c1-3-5-7-9-20-11-14-22(15-12-20)24-18-16-23-19-21(10-8-6-4-2)13-17-25(23)26(24)27/h4,6-7,9,13,16-20,22H,3,5,8,10-12,14-15H2,1-2H3/b6-4+,9-7+
InChIKeyPJNWJJFWUJPGGR-ADIUVMHLSA-N
XLogP8.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.55
LogP ≤ 58.12
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

2-(4-but-3-enylcyclohexyl)-1-fluoro-6-[(E)-pent-3-enyl]naphthalene
CID 139861022
6-but-3-enyl-1-fluoro-2-[4-[1-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexyl]naphthalene
CID 139864185
1-fluoro-2-[6-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-pentylnaphthalene
CID 139848807
2-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-6-propylnaphthalene
CID 139862821
1-fluoro-2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene
CID 139861475
1-fluoro-6-[(E)-pent-3-enyl]-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139863817
1-fluoro-6-propyl-2-[4-(3,4,5-trifluorophenyl)cyclohexyl]naphthalene
CID 58839893
1,2-difluoro-3-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-7-pentylnaphthalene
CID 139860614
6-but-2-enoxy-1-fluoro-2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene
CID 139864218
6-but-3-enyl-2-(4-but-3-enylcyclohexyl)-1-fluoronaphthalene
CID 139863366
2-(4-but-3-enylcyclohexyl)-1-fluoro-6-pentylnaphthalene
CID 139863041
1-[4-[4-(4-butylphenyl)but-1-enyl]cyclohexyl]-4-ethoxy-2,3-difluorobenzene
CID 77417120

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-6-[(E)-pent-3-enyl]-2-[4-[(E)-pent-1-enyl]cyclohexyl]naphthalene?
The IUPAC name of 1-fluoro-6-[(E)-pent-3-enyl]-2-[4-[(E)-pent-1-enyl]cyclohexyl]naphthalene (CID 139860894) is 1-fluoro-6-[(E)-pent-3-enyl]-2-[4-[(E)-pent-1-enyl]cyclohexyl]naphthalene.
What is the SMILES notation for 1-fluoro-6-[(E)-pent-3-enyl]-2-[4-[(E)-pent-1-enyl]cyclohexyl]naphthalene?
The canonical SMILES for 1-fluoro-6-[(E)-pent-3-enyl]-2-[4-[(E)-pent-1-enyl]cyclohexyl]naphthalene is C/C=C/CCc1ccc2c(F)c(C3CCC(/C=C/CCC)CC3)ccc2c1.
What is the InChIKey of 1-fluoro-6-[(E)-pent-3-enyl]-2-[4-[(E)-pent-1-enyl]cyclohexyl]naphthalene?
The InChIKey is PJNWJJFWUJPGGR-ADIUVMHLSA-N. The full InChI is InChI=1S/C26H33F/c1-3-5-7-9-20-11-14-22(15-12-20)24-18-16-23-19-21(10-8-6-4-2)13-17-25(23)26(24)27/h4,6-7,9,13,16-20,22H,3,5,8,10-12,14-15H2,1-2H3/b6-4+,9-7+.
What are the key properties of 1-fluoro-6-[(E)-pent-3-enyl]-2-[4-[(E)-pent-1-enyl]cyclohexyl]naphthalene?
1-fluoro-6-[(E)-pent-3-enyl]-2-[4-[(E)-pent-1-enyl]cyclohexyl]naphthalene has a molecular weight of 364.55 g/mol, XLogP of 8.12, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-6-[(E)-pent-3-enyl]-2-[4-[(E)-pent-1-enyl]cyclohexyl]naphthalene is sourced from PubChem (CID 139860894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).