6-[4-(difluoromethyl)phenyl]-1,2,3-trifluoronaphthalene

C17H9F5 — CID 151175004

IUPAC6-[4-(difluoromethyl)phenyl]-1,2,3-trifluoronaphthalene
SMILESFc1cc2cc(-c3ccc(C(F)F)cc3)ccc2c(F)c1F
InChIInChI=1S/C17H9F5/c18-14-8-12-7-11(5-6-13(12)15(19)16(14)20)9-1-3-10(4-2-9)17(21)22/h1-8,17H
InChIKeyNDBVZIWLIGNYJI-UHFFFAOYSA-N
MW308.25 g/mol
LogP5.86
Rot. Bonds2

About 6-[4-(difluoromethyl)phenyl]-1,2,3-trifluoronaphthalene

6-[4-(difluoromethyl)phenyl]-1,2,3-trifluoronaphthalene (PubChem CID 151175004) has the molecular formula C17H9F5 and a molecular weight of 308.25 g/mol. Its IUPAC name is 6-[4-(difluoromethyl)phenyl]-1,2,3-trifluoronaphthalene.

Molecular Properties

Compound Name6-[4-(difluoromethyl)phenyl]-1,2,3-trifluoronaphthalene
PubChem CID151175004
Molecular FormulaC17H9F5
Molecular Weight308.25 g/mol
Exact Mass308.06
IUPAC Name6-[4-(difluoromethyl)phenyl]-1,2,3-trifluoronaphthalene
SMILESFc1cc2cc(-c3ccc(C(F)F)cc3)ccc2c(F)c1F
InChIInChI=1S/C17H9F5/c18-14-8-12-7-11(5-6-13(12)15(19)16(14)20)9-1-3-10(4-2-9)17(21)22/h1-8,17H
InChIKeyNDBVZIWLIGNYJI-UHFFFAOYSA-N
XLogP5.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.25
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-(5,6,7-trifluoronaphthalen-2-yl)benzaldehyde
CID 118001113
6-(4-ethenyl-2,6-difluorophenyl)-1,2,3-trifluoronaphthalene
CID 139846798
1,2-difluoro-6-(4-methylphenyl)naphthalene
CID 70883391
6-[4-[(2,6-difluoro-4-propylphenyl)-difluoromethoxy]phenyl]-1,2,3-trifluoronaphthalene
CID 134554711
1,2,3-trifluoro-6-[2-[2-fluoro-4-(4-methylphenyl)phenyl]ethynyl]naphthalene
CID 139846553
6-[4-(4-ethenyl-2-fluorophenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene
CID 139847194
6-[4-(4-ethylphenyl)phenyl]-1,3-difluoronaphthalene-2-carbonitrile
CID 139817536
6-[4-(4-ethyl-2,6-difluorophenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene
CID 139847159
5-[(2,6-difluoro-4-methylphenoxy)methyl]-2-[4-(5,6,7-trifluoronaphthalen-2-yl)phenyl]-1,3-dioxane
CID 130218002
N-[[4-(difluoromethyl)phenyl]methyl]-2,3,5,6-tetrafluoroaniline
CID 107643770
6-[4-(4-butyl-2-fluorophenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene
CID 139847281
6-[[2,3-difluoro-4-[4-(4-methylphenyl)phenyl]phenyl]-difluoromethoxy]-1,2,3-trifluoronaphthalene
CID 118900750

Frequently Asked Questions

What is the IUPAC name of 6-[4-(difluoromethyl)phenyl]-1,2,3-trifluoronaphthalene?
The IUPAC name of 6-[4-(difluoromethyl)phenyl]-1,2,3-trifluoronaphthalene (CID 151175004) is 6-[4-(difluoromethyl)phenyl]-1,2,3-trifluoronaphthalene.
What is the SMILES notation for 6-[4-(difluoromethyl)phenyl]-1,2,3-trifluoronaphthalene?
The canonical SMILES for 6-[4-(difluoromethyl)phenyl]-1,2,3-trifluoronaphthalene is Fc1cc2cc(-c3ccc(C(F)F)cc3)ccc2c(F)c1F.
What is the InChIKey of 6-[4-(difluoromethyl)phenyl]-1,2,3-trifluoronaphthalene?
The InChIKey is NDBVZIWLIGNYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F5/c18-14-8-12-7-11(5-6-13(12)15(19)16(14)20)9-1-3-10(4-2-9)17(21)22/h1-8,17H.
What are the key properties of 6-[4-(difluoromethyl)phenyl]-1,2,3-trifluoronaphthalene?
6-[4-(difluoromethyl)phenyl]-1,2,3-trifluoronaphthalene has a molecular weight of 308.25 g/mol, XLogP of 5.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(difluoromethyl)phenyl]-1,2,3-trifluoronaphthalene is sourced from PubChem (CID 151175004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).