1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-[4-[(E)-pent-3-enyl]phenyl]ethyl]naphthalene

C31H30F2 — CID 139872490

IUPAC1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-[4-[(E)-pent-3-enyl]phenyl]ethyl]naphthalene
SMILESC/C=C/CCc1ccc(CCc2ccc3c(F)c(CCc4ccc(F)cc4)ccc3c2)cc1
InChIInChI=1S/C31H30F2/c1-2-3-4-5-23-6-8-24(9-7-23)10-11-26-15-21-30-28(22-26)18-17-27(31(30)33)16-12-25-13-19-29(32)20-14-25/h2-3,6-9,13-15,17-22H,4-5,10-12,16H2,1H3/b3-2+
InChIKeyJASSTDOTCKDIHF-NSCUHMNNSA-N
MW440.58 g/mol
LogP8.20
Rot. Bonds9

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

1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-[4-[(E)-pent-3-enyl]phenyl]ethyl]naphthalene (PubChem CID 139872490) has the molecular formula C31H30F2 and a molecular weight of 440.58 g/mol. Its IUPAC name is 1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-[4-[(E)-pent-3-enyl]phenyl]ethyl]naphthalene.

Molecular Properties

Compound Name1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-[4-[(E)-pent-3-enyl]phenyl]ethyl]naphthalene
PubChem CID139872490
Molecular FormulaC31H30F2
Molecular Weight440.58 g/mol
Exact Mass440.23
IUPAC Name1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-[4-[(E)-pent-3-enyl]phenyl]ethyl]naphthalene
SMILESC/C=C/CCc1ccc(CCc2ccc3c(F)c(CCc4ccc(F)cc4)ccc3c2)cc1
InChIInChI=1S/C31H30F2/c1-2-3-4-5-23-6-8-24(9-7-23)10-11-26-15-21-30-28(22-26)18-17-27(31(30)33)16-12-25-13-19-29(32)20-14-25/h2-3,6-9,13-15,17-22H,4-5,10-12,16H2,1H3/b3-2+
InChIKeyJASSTDOTCKDIHF-NSCUHMNNSA-N
XLogP8.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.58
LogP ≤ 58.20
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-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]-5-[(E)-pent-3-enyl]pyrimidine
CID 139875379
1-fluoro-2-[2-[4-[(E)-pent-3-enyl]phenyl]ethyl]-6-[2-[4-[(E)-pent-3-enyl]phenyl]ethynyl]naphthalene
CID 139876386
2-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-1-fluoro-6-[2-[4-[(E)-pent-3-enyl]phenyl]ethyl]naphthalene
CID 139870822
1-fluoro-2-[(E)-pent-3-enyl]-6-[2-[4-[2-[4-[(E)-pent-3-enyl]phenyl]ethyl]phenyl]ethynyl]naphthalene
CID 139877514
1-fluoro-2-[(E)-pent-3-enyl]-6-[2-[4-[(E)-pent-3-enyl]phenyl]ethynyl]naphthalene
CID 139875921
4-[2-[6-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-1-fluoronaphthalen-2-yl]ethyl]benzonitrile
CID 139874761
2-[2-[6-[2-(4-chloro-3,5-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-[(E)-pent-3-enyl]pyrimidine
CID 139875702
1-fluoro-2-[(E)-pent-3-enyl]-6-[2-[4-[4-[(E)-pent-3-enyl]phenyl]phenyl]ethynyl]naphthalene
CID 139876924
2-[2-[5-fluoro-6-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]ethyl]-5-[(E)-pent-3-enyl]pyridine
CID 139874621
2-fluoro-4-[2-[1-fluoro-6-[2-[4-[(E)-pent-3-enyl]phenyl]ethynyl]naphthalen-2-yl]ethyl]benzonitrile
CID 139850346
1-fluoro-6-[2-[4-[2-(4-methylphenyl)ethyl]phenyl]ethynyl]-2-[(E)-pent-3-enyl]naphthalene
CID 139876065
2-ethyl-1-fluoro-6-[2-[4-[2-[4-[(E)-pent-3-enyl]phenyl]ethynyl]phenyl]ethynyl]naphthalene
CID 139876968

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-[4-[(E)-pent-3-enyl]phenyl]ethyl]naphthalene?
The IUPAC name of 1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-[4-[(E)-pent-3-enyl]phenyl]ethyl]naphthalene (CID 139872490) is 1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-[4-[(E)-pent-3-enyl]phenyl]ethyl]naphthalene.
What is the SMILES notation for 1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-[4-[(E)-pent-3-enyl]phenyl]ethyl]naphthalene?
The canonical SMILES for 1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-[4-[(E)-pent-3-enyl]phenyl]ethyl]naphthalene is C/C=C/CCc1ccc(CCc2ccc3c(F)c(CCc4ccc(F)cc4)ccc3c2)cc1.
What is the InChIKey of 1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-[4-[(E)-pent-3-enyl]phenyl]ethyl]naphthalene?
The InChIKey is JASSTDOTCKDIHF-NSCUHMNNSA-N. The full InChI is InChI=1S/C31H30F2/c1-2-3-4-5-23-6-8-24(9-7-23)10-11-26-15-21-30-28(22-26)18-17-27(31(30)33)16-12-25-13-19-29(32)20-14-25/h2-3,6-9,13-15,17-22H,4-5,10-12,16H2,1H3/b3-2+.
What are the key properties of 1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-[4-[(E)-pent-3-enyl]phenyl]ethyl]naphthalene?
1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-[4-[(E)-pent-3-enyl]phenyl]ethyl]naphthalene has a molecular weight of 440.58 g/mol, XLogP of 8.20, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-[4-[(E)-pent-3-enyl]phenyl]ethyl]naphthalene is sourced from PubChem (CID 139872490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).