1,3-difluoro-5-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-2-(trifluoromethyl)benzene

C18H14F6 — CID 88998789

IUPAC1,3-difluoro-5-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-2-(trifluoromethyl)benzene
SMILESC/C=C/CCc1ccc(-c2cc(F)c(C(F)(F)F)c(F)c2)c(F)c1
InChIInChI=1S/C18H14F6/c1-2-3-4-5-11-6-7-13(14(19)8-11)12-9-15(20)17(16(21)10-12)18(22,23)24/h2-3,6-10H,4-5H2,1H3/b3-2+
InChIKeyCIVBKLBBQNQESD-NSCUHMNNSA-N
MW344.30 g/mol
LogP6.30
Rot. Bonds4

About 1,3-difluoro-5-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-2-(trifluoromethyl)benzene

1,3-difluoro-5-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-2-(trifluoromethyl)benzene (PubChem CID 88998789) has the molecular formula C18H14F6 and a molecular weight of 344.30 g/mol. Its IUPAC name is 1,3-difluoro-5-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,3-difluoro-5-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-2-(trifluoromethyl)benzene
PubChem CID88998789
Molecular FormulaC18H14F6
Molecular Weight344.30 g/mol
Exact Mass344.10
IUPAC Name1,3-difluoro-5-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-2-(trifluoromethyl)benzene
SMILESC/C=C/CCc1ccc(-c2cc(F)c(C(F)(F)F)c(F)c2)c(F)c1
InChIInChI=1S/C18H14F6/c1-2-3-4-5-11-6-7-13(14(19)8-11)12-9-15(20)17(16(21)10-12)18(22,23)24/h2-3,6-10H,4-5H2,1H3/b3-2+
InChIKeyCIVBKLBBQNQESD-NSCUHMNNSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.30
LogP ≤ 56.30
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

1,3-difluoro-5-[2-fluoro-4-[2-[4-[(E)-pent-3-enyl]phenyl]ethynyl]phenyl]-2-(trifluoromethyl)benzene
CID 144975618
1,3-difluoro-5-[2-fluoro-4-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]phenyl]-2-(3,3,3-trifluoroprop-1-ynyl)benzene
CID 59247240
2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-6-(2,2,2-trifluoroethoxy)naphthalene
CID 139855856
1-(4-ethylphenyl)-2-fluoro-4-(4-pent-3-enylphenyl)benzene
CID 76678385
1,3,8-trifluoro-6-[4-[(E)-pent-3-enyl]phenyl]-2-(trifluoromethyl)naphthalene
CID 139856237
2-[3-chloro-4-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-5-fluorophenyl]-5-[[2,6-difluoro-4-(2-fluoro-4-pent-3-enylphenyl)phenyl]-difluoromethoxy]-1,3-difluorobenzene
CID 123456005
2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-[2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]ethynyl]phenyl]benzene
CID 129036819
4-[3-fluoro-4-[4-[(E)-pent-3-enyl]phenyl]phenyl]benzenethiol
CID 129130534
1,2,3-trifluoro-5-[2-fluoro-4-[2-[4-[(E)-pent-3-enyl]phenyl]ethynyl]phenyl]benzene
CID 139799028
1,3-difluoro-5-(4-pent-3-enylphenyl)-2-(2,2,2-trifluoroethoxy)benzene
CID 139764142
2-[[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenoxy]-difluoromethyl]-1,3-difluoro-5-(2-fluoro-4-propylphenyl)benzene
CID 58471577
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 1,3-difluoro-5-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-2-(trifluoromethyl)benzene?
The IUPAC name of 1,3-difluoro-5-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-2-(trifluoromethyl)benzene (CID 88998789) is 1,3-difluoro-5-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1,3-difluoro-5-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-2-(trifluoromethyl)benzene?
The canonical SMILES for 1,3-difluoro-5-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-2-(trifluoromethyl)benzene is C/C=C/CCc1ccc(-c2cc(F)c(C(F)(F)F)c(F)c2)c(F)c1.
What is the InChIKey of 1,3-difluoro-5-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-2-(trifluoromethyl)benzene?
The InChIKey is CIVBKLBBQNQESD-NSCUHMNNSA-N. The full InChI is InChI=1S/C18H14F6/c1-2-3-4-5-11-6-7-13(14(19)8-11)12-9-15(20)17(16(21)10-12)18(22,23)24/h2-3,6-10H,4-5H2,1H3/b3-2+.
What are the key properties of 1,3-difluoro-5-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-2-(trifluoromethyl)benzene?
1,3-difluoro-5-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-2-(trifluoromethyl)benzene has a molecular weight of 344.30 g/mol, XLogP of 6.30, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-5-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-2-(trifluoromethyl)benzene is sourced from PubChem (CID 88998789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).