6-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-1,3-difluoro-2-(trifluoromethyl)naphthalene

C22H15F7 — CID 139855763

IUPAC6-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-1,3-difluoro-2-(trifluoromethyl)naphthalene
SMILESC/C=C/CCc1cc(F)c(-c2ccc3c(F)c(C(F)(F)F)c(F)cc3c2)c(F)c1
InChIInChI=1S/C22H15F7/c1-2-3-4-5-12-8-16(23)19(17(24)9-12)13-6-7-15-14(10-13)11-18(25)20(21(15)26)22(27,28)29/h2-3,6-11H,4-5H2,1H3/b3-2+
InChIKeyNYRXNZQRENZGDA-NSCUHMNNSA-N
MW412.35 g/mol
LogP7.59
Rot. Bonds4

About 6-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-1,3-difluoro-2-(trifluoromethyl)naphthalene

6-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-1,3-difluoro-2-(trifluoromethyl)naphthalene (PubChem CID 139855763) has the molecular formula C22H15F7 and a molecular weight of 412.35 g/mol. Its IUPAC name is 6-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-1,3-difluoro-2-(trifluoromethyl)naphthalene.

Molecular Properties

Compound Name6-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-1,3-difluoro-2-(trifluoromethyl)naphthalene
PubChem CID139855763
Molecular FormulaC22H15F7
Molecular Weight412.35 g/mol
Exact Mass412.11
IUPAC Name6-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-1,3-difluoro-2-(trifluoromethyl)naphthalene
SMILESC/C=C/CCc1cc(F)c(-c2ccc3c(F)c(C(F)(F)F)c(F)cc3c2)c(F)c1
InChIInChI=1S/C22H15F7/c1-2-3-4-5-12-8-16(23)19(17(24)9-12)13-6-7-15-14(10-13)11-18(25)20(21(15)26)22(27,28)29/h2-3,6-11H,4-5H2,1H3/b3-2+
InChIKeyNYRXNZQRENZGDA-NSCUHMNNSA-N
XLogP7.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.35
LogP ≤ 57.59
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-(difluoromethoxy)-6-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-1,3-difluoronaphthalene
CID 139855298
1,3,8-trifluoro-6-[4-[(E)-pent-3-enyl]phenyl]-2-(trifluoromethyl)naphthalene
CID 139856237
6-[4-(4-but-2-enoxy-2,6-difluorophenyl)-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethyl)naphthalene
CID 139856044
6-[4-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-2-fluorophenyl]-1-fluoro-2-(2,2,2-trifluoroethoxy)naphthalene
CID 139855536
2-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-6-(2,2,2-trifluoroethoxy)naphthalene
CID 139855208
2-[2-[4-[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethyl]-1,3-difluoro-5-[4-[(E)-pent-3-enyl]phenyl]benzene
CID 90180081
2-(2,2-difluoroethenyl)-6-[4-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-2-fluorophenyl]-1-fluoronaphthalene
CID 139855676
4-[2-[6-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-1-fluoronaphthalen-2-yl]ethyl]benzonitrile
CID 139874761
1,3-difluoro-5-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-2-(trifluoromethyl)benzene
CID 88998789
1,3-difluoro-6-(4-pentylphenyl)-2-(trifluoromethyl)naphthalene
CID 139855742
6-(2,6-difluoro-4-propylphenyl)-2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-1-fluoronaphthalene
CID 139872854
1-fluoro-6-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]naphthalene
CID 139871419

Frequently Asked Questions

What is the IUPAC name of 6-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-1,3-difluoro-2-(trifluoromethyl)naphthalene?
The IUPAC name of 6-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-1,3-difluoro-2-(trifluoromethyl)naphthalene (CID 139855763) is 6-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-1,3-difluoro-2-(trifluoromethyl)naphthalene.
What is the SMILES notation for 6-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-1,3-difluoro-2-(trifluoromethyl)naphthalene?
The canonical SMILES for 6-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-1,3-difluoro-2-(trifluoromethyl)naphthalene is C/C=C/CCc1cc(F)c(-c2ccc3c(F)c(C(F)(F)F)c(F)cc3c2)c(F)c1.
What is the InChIKey of 6-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-1,3-difluoro-2-(trifluoromethyl)naphthalene?
The InChIKey is NYRXNZQRENZGDA-NSCUHMNNSA-N. The full InChI is InChI=1S/C22H15F7/c1-2-3-4-5-12-8-16(23)19(17(24)9-12)13-6-7-15-14(10-13)11-18(25)20(21(15)26)22(27,28)29/h2-3,6-11H,4-5H2,1H3/b3-2+.
What are the key properties of 6-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-1,3-difluoro-2-(trifluoromethyl)naphthalene?
6-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-1,3-difluoro-2-(trifluoromethyl)naphthalene has a molecular weight of 412.35 g/mol, XLogP of 7.59, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-1,3-difluoro-2-(trifluoromethyl)naphthalene is sourced from PubChem (CID 139855763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).